N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine

C9H7BrClN3 — CID 106576619

IUPACN-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine
SMILESClc1ccc(Nc2ncc[nH]2)cc1Br
InChIInChI=1S/C9H7BrClN3/c10-7-5-6(1-2-8(7)11)14-9-12-3-4-13-9/h1-5H,(H2,12,13,14)
InChIKeyOWZYJJQQSMGCJQ-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.57
Rot. Bonds2

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

N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine (PubChem CID 106576619) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine
PubChem CID106576619
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC NameN-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine
SMILESClc1ccc(Nc2ncc[nH]2)cc1Br
InChIInChI=1S/C9H7BrClN3/c10-7-5-6(1-2-8(7)11)14-9-12-3-4-13-9/h1-5H,(H2,12,13,14)
InChIKeyOWZYJJQQSMGCJQ-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine (CID 106576619) is N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine is Clc1ccc(Nc2ncc[nH]2)cc1Br.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine?
The InChIKey is OWZYJJQQSMGCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-7-5-6(1-2-8(7)11)14-9-12-3-4-13-9/h1-5H,(H2,12,13,14).
What are the key properties of N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine?
N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine has a molecular weight of 272.53 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106576619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).