5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole

C15H11BrCl2N2 — CID 43660831

IUPAC5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
SMILESCc1c(Cl)cccc1-n1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrCl2N2/c1-9-11(18)3-2-4-13(9)20-14-6-5-10(16)7-12(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyWMETXUQRTMEYOR-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.49
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole

5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole (PubChem CID 43660831) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
PubChem CID43660831
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
SMILESCc1c(Cl)cccc1-n1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrCl2N2/c1-9-11(18)3-2-4-13(9)20-14-6-5-10(16)7-12(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyWMETXUQRTMEYOR-UHFFFAOYSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)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

2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 107637715
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]benzonitrile
CID 43660555
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 43660441
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole (CID 43660831) is 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole is Cc1c(Cl)cccc1-n1c(CCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole?
The InChIKey is WMETXUQRTMEYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c1-9-11(18)3-2-4-13(9)20-14-6-5-10(16)7-12(14)19-15(20)8-17/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole?
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole has a molecular weight of 370.08 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 43660831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).