2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile

C15H9BrFN3 — CID 104720863

IUPAC2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2cccc(F)c2Br)nc2c(C#N)cccc21
InChIInChI=1S/C15H9BrFN3/c1-20-12-7-2-4-9(8-18)14(12)19-15(20)10-5-3-6-11(17)13(10)16/h2-7H,1H3
InChIKeyWEDIGBQVAOLQEB-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.01
Rot. Bonds1

About 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile

2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 104720863) has the molecular formula C15H9BrFN3 and a molecular weight of 330.16 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID104720863
Molecular FormulaC15H9BrFN3
Molecular Weight330.16 g/mol
Exact Mass329.00
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2cccc(F)c2Br)nc2c(C#N)cccc21
InChIInChI=1S/C15H9BrFN3/c1-20-12-7-2-4-9(8-18)14(12)19-15(20)10-5-3-6-11(17)13(10)16/h2-7H,1H3
InChIKeyWEDIGBQVAOLQEB-UHFFFAOYSA-N
XLogP4.01
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
2-(4-bromo-2-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720772
2-(4-fluoro-3-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720761
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720812
2-(3-bromo-4-methylphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720927
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile
CID 102811455
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile (CID 104720863) is 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile is Cn1c(-c2cccc(F)c2Br)nc2c(C#N)cccc21.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is WEDIGBQVAOLQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3/c1-20-12-7-2-4-9(8-18)14(12)19-15(20)10-5-3-6-11(17)13(10)16/h2-7H,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile?
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 330.16 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 104720863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).