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CAS 102308-68-9 2H-Benzimidazol-2-one,1,3-dihydro-4,6-dimethyl-(9CI) molecular structure lightbox
CAS RN: 102308-68-9

2H-Benzimidazol-2-one,1,3-dihydro-4,6-dimethyl-(9CI)

  • Product code: SSC-003591
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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: 1g
  • 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 102308-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

102308-68-9 / 4,6-dimethyl-1,3-dihydrobenzimidazol-2-one

4,6-dimethyl-1,3-dihydrobenzimidazol-2-one | 2H-Benzimidazol-2-one,1,3-dihydro-4,6-dimethyl-(9CI) | 4,6-Dimethyl-1,3-dihydro-2H-benzimidazol-2-one

Standard CAS: 102308-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102308-68-9
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CC1=CC(=C2C(=C1)NC(=O)N2)C
InChI
InChI=1S/C9H10N2O/c1-5-3-6(2)8-7(4-5)10-9(12)11-8/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
QQTGMHTWSCFCRJ-UHFFFAOYSA-N
Synonyms
4,6-dimethyl-1,3-dihydrobenzimidazol-2-one 2H-Benzimidazol-2-one,1,3-dihydro-4,6-dimethyl-(9CI) 4,6-Dimethyl-1,3-dihydro-2H-benzimidazol-2-one SCHEMBL2257694 SCHEMBL2787484

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
2
Molar refractivity
48.39
TPSA
48.65

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-2.66

Drug-likeness / Medicinal Chemistry

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

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