4-(bromomethyl)-1-(3-chlorophenyl)imidazole

C10H8BrClN2 — CID 130482648

IUPAC4-(bromomethyl)-1-(3-chlorophenyl)imidazole
SMILESClc1cccc(-n2cnc(CBr)c2)c1
InChIInChI=1S/C10H8BrClN2/c11-5-9-6-14(7-13-9)10-3-1-2-8(12)4-10/h1-4,6-7H,5H2
InChIKeyJEIJZZWKBCXUHU-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.42
Rot. Bonds2

About 4-(bromomethyl)-1-(3-chlorophenyl)imidazole

4-(bromomethyl)-1-(3-chlorophenyl)imidazole (PubChem CID 130482648) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(3-chlorophenyl)imidazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(3-chlorophenyl)imidazole
PubChem CID130482648
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name4-(bromomethyl)-1-(3-chlorophenyl)imidazole
SMILESClc1cccc(-n2cnc(CBr)c2)c1
InChIInChI=1S/C10H8BrClN2/c11-5-9-6-14(7-13-9)10-3-1-2-8(12)4-10/h1-4,6-7H,5H2
InChIKeyJEIJZZWKBCXUHU-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-1-(3-chlorophenyl)imidazole 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 4-(bromomethyl)-1-(3-chlorophenyl)imidazole?
The IUPAC name of 4-(bromomethyl)-1-(3-chlorophenyl)imidazole (CID 130482648) is 4-(bromomethyl)-1-(3-chlorophenyl)imidazole.
What is the SMILES notation for 4-(bromomethyl)-1-(3-chlorophenyl)imidazole?
The canonical SMILES for 4-(bromomethyl)-1-(3-chlorophenyl)imidazole is Clc1cccc(-n2cnc(CBr)c2)c1.
What is the InChIKey of 4-(bromomethyl)-1-(3-chlorophenyl)imidazole?
The InChIKey is JEIJZZWKBCXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c11-5-9-6-14(7-13-9)10-3-1-2-8(12)4-10/h1-4,6-7H,5H2.
What are the key properties of 4-(bromomethyl)-1-(3-chlorophenyl)imidazole?
4-(bromomethyl)-1-(3-chlorophenyl)imidazole has a molecular weight of 271.55 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(3-chlorophenyl)imidazole is sourced from PubChem (CID 130482648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).