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CAS 1072-89-5 4,5-DIMETHYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE molecular structure lightbox
CAS RN: 1072-89-5

4,5-DIMETHYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-008671
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1072-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1072-89-5 / 4,5-dimethyl-1,3-dihydroimidazol-2-one

4,5-dimethyl-2,3-dihydro-1H-imidazol-2-one | RefChem:507824 | 844-154-4

Standard CAS: 1072-89-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1072-89-5
Multi CAS
Yes
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
SMILES
CC1=C(NC(=O)N1)C
InChI
InChI=1S/C5H8N2O/c1-3-4(2)7-5(8)6-3/h1-2H3,(H2,6,7,8)
InChIKey
JRKFAGHOOSDGOQ-UHFFFAOYSA-N
Synonyms
4,5-dimethyl-2,3-dihydro-1H-imidazol-2-one RefChem:507824 844-154-4 4,5-dimethyl-1,3-dihydro-2H-imidazol-2-one 4,5-Dimethyl-1H-imidazol-2(3H)-one

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
30.89
TPSA
48.65

LogP / Solubility

WLOGP
0.32
MLOGP
0.27
XLogP3
-0.1
Consensus LogP
0.16
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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