1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole

C15H11BrClFN2O — CID 104780055

IUPAC1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
SMILESCOc1ccc2nc(CCl)n(-c3ccc(F)c(Br)c3)c2c1
InChIInChI=1S/C15H11BrClFN2O/c1-21-10-3-5-13-14(7-10)20(15(8-17)19-13)9-2-4-12(18)11(16)6-9/h2-7H,8H2,1H3
InChIKeyOFGNYGGRQMJUQV-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.67
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole

1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole (PubChem CID 104780055) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
PubChem CID104780055
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
SMILESCOc1ccc2nc(CCl)n(-c3ccc(F)c(Br)c3)c2c1
InChIInChI=1S/C15H11BrClFN2O/c1-21-10-3-5-13-14(7-10)20(15(8-17)19-13)9-2-4-12(18)11(16)6-9/h2-7H,8H2,1H3
InChIKeyOFGNYGGRQMJUQV-UHFFFAOYSA-N
XLogP4.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)benzimidazole-5-carbonitrile
CID 104780013
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082
2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole (CID 104780055) is 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole is COc1ccc2nc(CCl)n(-c3ccc(F)c(Br)c3)c2c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole?
The InChIKey is OFGNYGGRQMJUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c1-21-10-3-5-13-14(7-10)20(15(8-17)19-13)9-2-4-12(18)11(16)6-9/h2-7H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole?
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole has a molecular weight of 369.62 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole is sourced from PubChem (CID 104780055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).