1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole

C14H7BrCl2F2N2 — CID 81281428

IUPAC1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(-c3ccc(Cl)cc3Br)c2c1F
InChIInChI=1S/C14H7BrCl2F2N2/c15-8-5-7(17)1-4-11(8)21-12(6-16)20-10-3-2-9(18)13(19)14(10)21/h1-5H,6H2
InChIKeyPJGRVGGVKHQPHY-UHFFFAOYSA-N
MW392.03 g/mol
LogP5.46
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole

1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole (PubChem CID 81281428) has the molecular formula C14H7BrCl2F2N2 and a molecular weight of 392.03 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
PubChem CID81281428
Molecular FormulaC14H7BrCl2F2N2
Molecular Weight392.03 g/mol
Exact Mass389.91
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCl)n(-c3ccc(Cl)cc3Br)c2c1F
InChIInChI=1S/C14H7BrCl2F2N2/c15-8-5-7(17)1-4-11(8)21-12(6-16)20-10-3-2-9(18)13(19)14(10)21/h1-5H,6H2
InChIKeyPJGRVGGVKHQPHY-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.03
LogP ≤ 55.46
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-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63545740
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63546819
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
2-(chloromethyl)-1-(2-ethylphenyl)-6,7-difluorobenzimidazole
CID 63547054
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
CID 81274666
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79046056
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
2-(chloromethyl)-1-(4-ethylphenyl)-6,7-difluorobenzimidazole
CID 63546704
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole
CID 63545911

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole (CID 81281428) is 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole is Fc1ccc2nc(CCl)n(-c3ccc(Cl)cc3Br)c2c1F.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The InChIKey is PJGRVGGVKHQPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2N2/c15-8-5-7(17)1-4-11(8)21-12(6-16)20-10-3-2-9(18)13(19)14(10)21/h1-5H,6H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole has a molecular weight of 392.03 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole is sourced from PubChem (CID 81281428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).