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CAS 1060651-05-9 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-one molecular structure lightbox
CAS RN: 1060651-05-9

1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-one

  • Product code: SSC-007716
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1060651-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1060651-05-9 / 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-one

1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-one | MFCD31630414 | 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-one

Standard CAS: 1060651-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060651-05-9
Multi CAS
No
Molecular Formula
C27H36N2O
Molecular Weight
404.600000
Exact Mass
404.282764
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=O)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H36N2O/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(27(28)30)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3
InChIKey
MBTSWMUYEUMHPK-UHFFFAOYSA-N
Synonyms
1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-one MFCD31630414 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-one 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-one SCHEMBL16655509

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
127.72
TPSA
26.93

LogP / Solubility

WLOGP
7.12
MLOGP
6.29
XLogP3
7.1
Consensus LogP
6.84
Log S (ESOL)
-6.86
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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