6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole

C14H9BrCl2N2 — CID 65344978

IUPAC6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole
SMILESClCc1nc2ccc(Br)cc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrCl2N2/c15-9-1-6-12-13(7-9)19(14(8-16)18-12)11-4-2-10(17)3-5-11/h1-7H,8H2
InChIKeyRZVMCYMYDWLSGJ-UHFFFAOYSA-N
MW356.05 g/mol
LogP5.18
Rot. Bonds2

About 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole

6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole (PubChem CID 65344978) has the molecular formula C14H9BrCl2N2 and a molecular weight of 356.05 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole
PubChem CID65344978
Molecular FormulaC14H9BrCl2N2
Molecular Weight356.05 g/mol
Exact Mass353.93
IUPAC Name6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole
SMILESClCc1nc2ccc(Br)cc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrCl2N2/c15-9-1-6-12-13(7-9)19(14(8-16)18-12)11-4-2-10(17)3-5-11/h1-7H,8H2
InChIKeyRZVMCYMYDWLSGJ-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.05
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 65346271
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-4-chlorobenzonitrile
CID 65346123
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471654
2-[4-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]phenyl]acetonitrile
CID 115471435
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole (CID 65344978) is 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole is ClCc1nc2ccc(Br)cc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole?
The InChIKey is RZVMCYMYDWLSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2/c15-9-1-6-12-13(7-9)19(14(8-16)18-12)11-4-2-10(17)3-5-11/h1-7H,8H2.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole?
6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole has a molecular weight of 356.05 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole is sourced from PubChem (CID 65344978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).