2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile

C15H10BrFN4 — CID 107593043

IUPAC2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1cc(F)c(Br)cc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H10BrFN4/c1-8-5-11(17)10(16)6-13(8)21-12-4-2-3-9(7-18)14(12)20-15(21)19/h2-6H,1H3,(H2,19,20)
InChIKeyKKYMQQMKIRNCNZ-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.69
Rot. Bonds1

About 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile

2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile (PubChem CID 107593043) has the molecular formula C15H10BrFN4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
PubChem CID107593043
Molecular FormulaC15H10BrFN4
Molecular Weight345.18 g/mol
Exact Mass344.01
IUPAC Name2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1cc(F)c(Br)cc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H10BrFN4/c1-8-5-11(17)10(16)6-13(8)21-12-4-2-3-9(7-18)14(12)20-15(21)19/h2-6H,1H3,(H2,19,20)
InChIKeyKKYMQQMKIRNCNZ-UHFFFAOYSA-N
XLogP3.69
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718706
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
2-amino-1-(2-cyano-3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718770
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938
2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
CID 104718691
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
CID 104719050
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile (CID 107593043) is 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile is Cc1cc(F)c(Br)cc1-n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
The InChIKey is KKYMQQMKIRNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4/c1-8-5-11(17)10(16)6-13(8)21-12-4-2-3-9(7-18)14(12)20-15(21)19/h2-6H,1H3,(H2,19,20).
What are the key properties of 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile has a molecular weight of 345.18 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 107593043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).