1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole

C14H7BrCl3FN2 — CID 107601575

IUPAC1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
SMILESFc1cccc(Br)c1-n1c(CCl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H7BrCl3FN2/c15-7-2-1-3-10(19)14(7)21-12-5-9(18)8(17)4-11(12)20-13(21)6-16/h1-5H,6H2
InChIKeyNKAHWXTVXLGXAN-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.97
Rot. Bonds2

About 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole

1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole (PubChem CID 107601575) has the molecular formula C14H7BrCl3FN2 and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
PubChem CID107601575
Molecular FormulaC14H7BrCl3FN2
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
SMILESFc1cccc(Br)c1-n1c(CCl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H7BrCl3FN2/c15-7-2-1-3-10(19)14(7)21-12-5-9(18)8(17)4-11(12)20-13(21)6-16/h1-5H,6H2
InChIKeyNKAHWXTVXLGXAN-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.97
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

5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 107601606
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 107637715
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)benzimidazole-4-carbonitrile
CID 107601645
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471654
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole (CID 107601575) is 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole is Fc1cccc(Br)c1-n1c(CCl)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole?
The InChIKey is NKAHWXTVXLGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl3FN2/c15-7-2-1-3-10(19)14(7)21-12-5-9(18)8(17)4-11(12)20-13(21)6-16/h1-5H,6H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole?
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole has a molecular weight of 408.49 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 107601575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).