1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole

C13H7BrClFN2 — CID 146004053

IUPAC1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole
SMILESFc1cc(-n2c(Cl)nc3ccccc32)ccc1Br
InChIInChI=1S/C13H7BrClFN2/c14-9-6-5-8(7-10(9)16)18-12-4-2-1-3-11(12)17-13(18)15/h1-7H
InChIKeyAZYJXQIIXBBQCK-UHFFFAOYSA-N
MW325.57 g/mol
LogP4.58
Rot. Bonds1

About 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole

1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole (PubChem CID 146004053) has the molecular formula C13H7BrClFN2 and a molecular weight of 325.57 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole
PubChem CID146004053
Molecular FormulaC13H7BrClFN2
Molecular Weight325.57 g/mol
Exact Mass323.95
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole
SMILESFc1cc(-n2c(Cl)nc3ccccc32)ccc1Br
InChIInChI=1S/C13H7BrClFN2/c14-9-6-5-8(7-10(9)16)18-12-4-2-1-3-11(12)17-13(18)15/h1-7H
InChIKeyAZYJXQIIXBBQCK-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-phenylbenzimidazole
CID 12675133
20-(4-bromo-3-fluorophenyl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 172522385
3-(2-chlorobenzimidazol-1-yl)phenol
CID 84802691
4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 65437027
4-(2-chlorobenzimidazol-1-yl)benzonitrile
CID 68907266
1-(4-bromo-3-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 65437772
1-(4-bromo-3-fluorophenyl)-2,5-dimethylpyrrole
CID 65436413
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;1,4-dibromo-2-fluorobenzene;1-phenylbenzimidazol-2-amine
CID 157473881
3-(4-bromo-3-fluorophenyl)-5-chloro-1H-benzimidazole-2-thione
CID 115470149
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole (CID 146004053) is 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole is Fc1cc(-n2c(Cl)nc3ccccc32)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole?
The InChIKey is AZYJXQIIXBBQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2/c14-9-6-5-8(7-10(9)16)18-12-4-2-1-3-11(12)17-13(18)15/h1-7H.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole?
1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole has a molecular weight of 325.57 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-chlorobenzimidazole is sourced from PubChem (CID 146004053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).