1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole

C15H11BrClFN2 — CID 104780082

IUPAC1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(-c3ccc(F)c(Br)c3)c12
InChIInChI=1S/C15H11BrClFN2/c1-9-3-2-4-13-15(9)20(14(8-17)19-13)10-5-6-12(18)11(16)7-10/h2-7H,8H2,1H3
InChIKeyUNCIPIZKRNMGRI-UHFFFAOYSA-N
MW353.62 g/mol
LogP4.97
Rot. Bonds2

About 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole

1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole (PubChem CID 104780082) has the molecular formula C15H11BrClFN2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
PubChem CID104780082
Molecular FormulaC15H11BrClFN2
Molecular Weight353.62 g/mol
Exact Mass351.98
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(-c3ccc(F)c(Br)c3)c12
InChIInChI=1S/C15H11BrClFN2/c1-9-3-2-4-13-15(9)20(14(8-17)19-13)10-5-6-12(18)11(16)7-10/h2-7H,8H2,1H3
InChIKeyUNCIPIZKRNMGRI-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole 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-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 104780083
2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)-7-methylbenzimidazole
CID 115552991
1-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553491
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
2-(chloromethyl)-1-(4-ethoxyphenyl)-7-methylbenzimidazole
CID 115552801
3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)benzimidazole-5-carbonitrile
CID 104780013
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79046056
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63546819
1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole
CID 112740785

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole (CID 104780082) is 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole is Cc1cccc2nc(CCl)n(-c3ccc(F)c(Br)c3)c12.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
The InChIKey is UNCIPIZKRNMGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2/c1-9-3-2-4-13-15(9)20(14(8-17)19-13)10-5-6-12(18)11(16)7-10/h2-7H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole has a molecular weight of 353.62 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole is sourced from PubChem (CID 104780082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).