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CAS 1418123-93-9 1H-Benzimidazole, 1-(3-bromophenyl)-2-(2-pyridinyl)- molecular structure lightbox
CAS RN: 1418123-93-9

1H-Benzimidazole, 1-(3-bromophenyl)-2-(2-pyridinyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250322 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1418123-93-9
  • Purity/Analytical Methods: >99.0%
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1418123-93-9 / 1-(3-bromophenyl)-2-pyridin-2-ylbenzimidazole

Standard CAS: 1418123-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1418123-93-9
Multi CAS
No
Molecular Formula
C18H12BrN3
Molecular Weight
350.200000
Exact Mass
349.021460
SMILES
C1=CC=C2C(=C1)N=C(N2C3=CC(=CC=C3)Br)C4=CC=CC=N4
InChI
InChI=1S/C18H12BrN3/c19-13-6-5-7-14(12-13)22-17-10-2-1-8-15(17)21-18(22)16-9-3-4-11-20-16/h1-12H
InChIKey
PVINFISBOQUNKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
92
TPSA
30.71

LogP / Solubility

WLOGP
4.85
MLOGP
4.29
XLogP3
4.4
Consensus LogP
4.51
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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