2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine

C13H9BrClN3 — CID 114024566

IUPAC2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3ccc(Cl)c(Br)c3)nc12
InChIInChI=1S/C13H9BrClN3/c14-8-6-7(4-5-9(8)15)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,16H2,(H,17,18)
InChIKeyKSNQMPXJIBXJNI-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.23
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine

2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine (PubChem CID 114024566) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
PubChem CID114024566
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3ccc(Cl)c(Br)c3)nc12
InChIInChI=1S/C13H9BrClN3/c14-8-6-7(4-5-9(8)15)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,16H2,(H,17,18)
InChIKeyKSNQMPXJIBXJNI-UHFFFAOYSA-N
XLogP4.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine 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

2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
2-(3-methylphenyl)-1H-benzimidazol-4-amine
CID 63691360
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414
2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
CID 63694063
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
CID 81267619
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
5-(4-amino-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 136710554
2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine
CID 63692783

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine (CID 114024566) is 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(-c3ccc(Cl)c(Br)c3)nc12.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine?
The InChIKey is KSNQMPXJIBXJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c14-8-6-7(4-5-9(8)15)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine?
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine has a molecular weight of 322.59 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 114024566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).