1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole

C14H7BrCl2F2N2 — CID 115471654

IUPAC1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(Br)cc(F)c1-n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H7BrCl2F2N2/c15-7-3-9(18)14(10(19)4-7)21-12-5-8(17)1-2-11(12)20-13(21)6-16/h1-5H,6H2
InChIKeyVIGIZTIZJOEAKG-UHFFFAOYSA-N
MW392.03 g/mol
LogP5.46
Rot. Bonds2

About 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole

1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole (PubChem CID 115471654) has the molecular formula C14H7BrCl2F2N2 and a molecular weight of 392.03 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
PubChem CID115471654
Molecular FormulaC14H7BrCl2F2N2
Molecular Weight392.03 g/mol
Exact Mass389.91
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
SMILESFc1cc(Br)cc(F)c1-n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H7BrCl2F2N2/c15-7-3-9(18)14(10(19)4-7)21-12-5-8(17)1-2-11(12)20-13(21)6-16/h1-5H,6H2
InChIKeyVIGIZTIZJOEAKG-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

6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
CID 115471671
1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 65499437
6-bromo-2-(chloromethyl)-1-(4-chlorophenyl)benzimidazole
CID 65344978
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 65346271
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
1-(4-bromo-2,6-dimethylphenyl)-2-(chloromethyl)benzimidazole
CID 65498853

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole (CID 115471654) is 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole is Fc1cc(Br)cc(F)c1-n1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is VIGIZTIZJOEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2F2N2/c15-7-3-9(18)14(10(19)4-7)21-12-5-8(17)1-2-11(12)20-13(21)6-16/h1-5H,6H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole?
1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole 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-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 115471654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).