1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole

C14H7BrClF3N2 — CID 65499437

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
SMILESFc1cc(Br)cc(F)c1-n1c(CCl)nc2c(F)cccc21
InChIInChI=1S/C14H7BrClF3N2/c15-7-4-9(18)14(10(19)5-7)21-11-3-1-2-8(17)13(11)20-12(21)6-16/h1-5H,6H2
InChIKeyVJQWMADBVOMLEQ-UHFFFAOYSA-N
MW375.58 g/mol
LogP4.94
Rot. Bonds2

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

1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole (PubChem CID 65499437) has the molecular formula C14H7BrClF3N2 and a molecular weight of 375.58 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
PubChem CID65499437
Molecular FormulaC14H7BrClF3N2
Molecular Weight375.58 g/mol
Exact Mass373.94
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
SMILESFc1cc(Br)cc(F)c1-n1c(CCl)nc2c(F)cccc21
InChIInChI=1S/C14H7BrClF3N2/c15-7-4-9(18)14(10(19)5-7)21-11-3-1-2-8(17)13(11)20-12(21)6-16/h1-5H,6H2
InChIKeyVJQWMADBVOMLEQ-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 54.94
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-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
1-(4-bromo-2,6-difluorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471654
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)-4-fluorobenzimidazole
CID 66251217
1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)benzimidazole-4-carbonitrile
CID 107601645
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
CID 107637832
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
2-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
CID 60789752
2-(chloromethyl)-4-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 60789839
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole (CID 65499437) is 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole is Fc1cc(Br)cc(F)c1-n1c(CCl)nc2c(F)cccc21.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
The InChIKey is VJQWMADBVOMLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF3N2/c15-7-4-9(18)14(10(19)5-7)21-11-3-1-2-8(17)13(11)20-12(21)6-16/h1-5H,6H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole?
1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole has a molecular weight of 375.58 g/mol, XLogP of 4.94, 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)-2-(chloromethyl)-4-fluorobenzimidazole is sourced from PubChem (CID 65499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).