2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile

C15H8FN5 — CID 104719103

IUPAC2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cc(F)ccc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H8FN5/c16-11-4-5-12(10(6-11)8-18)21-13-3-1-2-9(7-17)14(13)20-15(21)19/h1-6H,(H2,19,20)
InChIKeyOYWPPWLZSVTSLO-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.49
Rot. Bonds1

About 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile

2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile (PubChem CID 104719103) has the molecular formula C15H8FN5 and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
PubChem CID104719103
Molecular FormulaC15H8FN5
Molecular Weight277.26 g/mol
Exact Mass277.08
IUPAC Name2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cc(F)ccc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H8FN5/c16-11-4-5-12(10(6-11)8-18)21-13-3-1-2-9(7-17)14(13)20-15(21)19/h1-6H,(H2,19,20)
InChIKeyOYWPPWLZSVTSLO-UHFFFAOYSA-N
XLogP2.49
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718706
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016569
2-amino-1-(2-cyano-3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718770
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
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-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016149

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile (CID 104719103) is 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile is N#Cc1cc(F)ccc1-n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile?
The InChIKey is OYWPPWLZSVTSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN5/c16-11-4-5-12(10(6-11)8-18)21-13-3-1-2-9(7-17)14(13)20-15(21)19/h1-6H,(H2,19,20).
What are the key properties of 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile?
2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile has a molecular weight of 277.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104719103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).