1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole

C14H8BrCl3N2 — CID 104838473

IUPAC1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrCl3N2/c15-9-6-8(4-5-10(9)17)20-12-3-1-2-11(18)14(12)19-13(20)7-16/h1-6H,7H2
InChIKeyHQLMXMIGMMXXBH-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.83
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole

1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole (PubChem CID 104838473) has the molecular formula C14H8BrCl3N2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
PubChem CID104838473
Molecular FormulaC14H8BrCl3N2
Molecular Weight390.50 g/mol
Exact Mass387.89
IUPAC Name1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrCl3N2/c15-9-6-8(4-5-10(9)17)20-12-3-1-2-11(18)14(12)19-13(20)7-16/h1-6H,7H2
InChIKeyHQLMXMIGMMXXBH-UHFFFAOYSA-N
XLogP5.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.83
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

1-(3-bromo-4-methoxyphenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838359
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 104837657
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
1-(4-bromophenyl)-2-(chloromethyl)benzimidazole-4-carbonitrile
CID 104719316
1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-6-methylbenzonitrile
CID 107799721

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole (CID 104838473) is 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole is ClCc1nc2c(Cl)cccc2n1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is HQLMXMIGMMXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3N2/c15-9-6-8(4-5-10(9)17)20-12-3-1-2-11(18)14(12)19-13(20)7-16/h1-6H,7H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole?
1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole has a molecular weight of 390.50 g/mol, XLogP of 5.83, 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-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 104838473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).