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CAS 17583-50-5 1H-Benzimidazole,1-(1-methylethyl)-(9CI) molecular structure lightbox
CAS RN: 17583-50-5

1H-Benzimidazole,1-(1-methylethyl)-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17583-50-5
  • Purity/Analytical Methods: >99.0%
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17583-50-5 / 1-propan-2-ylbenzimidazole

Standard CAS: 17583-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17583-50-5
Multi CAS
No
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
SMILES
CC(C)N1C=NC2=CC=CC=C21
InChI
InChI=1S/C10H12N2/c1-8(2)12-7-11-9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKey
UMJVKPYTXOUBSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.12
TPSA
17.82

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

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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