1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole

C12H7BrClN3 — CID 114837450

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
SMILESClc1cnc(-n2cnc3ccccc32)c(Br)c1
InChIInChI=1S/C12H7BrClN3/c13-9-5-8(14)6-15-12(9)17-7-16-10-3-1-2-4-11(10)17/h1-7H
InChIKeyVPJHGGQJPWTLOE-UHFFFAOYSA-N
MW308.57 g/mol
LogP3.84
Rot. Bonds1

About 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole

1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole (PubChem CID 114837450) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
PubChem CID114837450
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
SMILESClc1cnc(-n2cnc3ccccc32)c(Br)c1
InChIInChI=1S/C12H7BrClN3/c13-9-5-8(14)6-15-12(9)17-7-16-10-3-1-2-4-11(10)17/h1-7H
InChIKeyVPJHGGQJPWTLOE-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzimidazol-1-yl)-5-bromoisoquinoline
CID 106543714
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
1-(2,6-dichloropyrimidin-4-yl)benzimidazole
CID 10539590
1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
CID 163906532
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
CID 174453392
2-(benzimidazol-1-yl)-4-chlorobenzonitrile
CID 55180235
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole
CID 140903686
[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine
CID 114927352

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole (CID 114837450) is 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole is Clc1cnc(-n2cnc3ccccc32)c(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole?
The InChIKey is VPJHGGQJPWTLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-9-5-8(14)6-15-12(9)17-7-16-10-3-1-2-4-11(10)17/h1-7H.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole?
1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole has a molecular weight of 308.57 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole is sourced from PubChem (CID 114837450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).