1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole

C14H8BrCl3N2 — CID 115471721

IUPAC1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2ccc(Cl)cc2n1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrCl3N2/c15-10-6-9(2-3-11(10)18)20-13-5-8(17)1-4-12(13)19-14(20)7-16/h1-6H,7H2
InChIKeyFOOCPVMFCUXJEZ-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.83
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole

1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole (PubChem CID 115471721) has the molecular formula C14H8BrCl3N2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
PubChem CID115471721
Molecular FormulaC14H8BrCl3N2
Molecular Weight390.50 g/mol
Exact Mass387.89
IUPAC Name1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2ccc(Cl)cc2n1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrCl3N2/c15-10-6-9(2-3-11(10)18)20-13-5-8(17)1-4-12(13)19-14(20)7-16/h1-6H,7H2
InChIKeyFOOCPVMFCUXJEZ-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

6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 65346271
6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole
CID 65344978
1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838473
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)benzimidazole-5-carbonitrile
CID 104780013
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
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
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole (CID 115471721) is 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole is ClCc1nc2ccc(Cl)cc2n1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is FOOCPVMFCUXJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3N2/c15-10-6-9(2-3-11(10)18)20-13-5-8(17)1-4-12(13)19-14(20)7-16/h1-6H,7H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
1-(3-bromo-4-chlorophenyl)-6-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)-6-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 115471721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).