1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole

C15H11BrClFN2 — CID 60790109

IUPAC1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrClFN2/c1-9(17)15-19-14-12(18)6-3-7-13(14)20(15)11-5-2-4-10(16)8-11/h2-9H,1H3
InChIKeyFNQPXXDRKVCHDI-UHFFFAOYSA-N
MW353.62 g/mol
LogP5.23
Rot. Bonds2

About 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole

1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole (PubChem CID 60790109) has the molecular formula C15H11BrClFN2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
PubChem CID60790109
Molecular FormulaC15H11BrClFN2
Molecular Weight353.62 g/mol
Exact Mass351.98
IUPAC Name1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrClFN2/c1-9(17)15-19-14-12(18)6-3-7-13(14)20(15)11-5-2-4-10(16)8-11/h2-9H,1H3
InChIKeyFNQPXXDRKVCHDI-UHFFFAOYSA-N
XLogP5.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.62
LogP ≤ 55.23
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-(4-bromo-3-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 65437772
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 104780060
1-(2-bromo-5-methylphenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 82746511
2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 63546689
2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
CID 107529661
2-(1-chloroethyl)-1-(2-ethylphenyl)-4-fluorobenzimidazole
CID 60788519
2-(1-chloroethyl)-1-(3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719265
4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837748
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66088494
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
2-(1-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-4-fluorobenzimidazole
CID 83019067
1-butan-2-yl-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 60790347

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole?
The IUPAC name of 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole (CID 60790109) is 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole.
What is the SMILES notation for 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole?
The canonical SMILES for 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole is CC(Cl)c1nc2c(F)cccc2n1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole?
The InChIKey is FNQPXXDRKVCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2/c1-9(17)15-19-14-12(18)6-3-7-13(14)20(15)11-5-2-4-10(16)8-11/h2-9H,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole?
1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole has a molecular weight of 353.62 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole is sourced from PubChem (CID 60790109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).