2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile

C14H8F2N4 — CID 104718691

IUPAC2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F2N4/c15-10-5-4-9(6-11(10)16)20-12-3-1-2-8(7-17)13(12)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyQMGCPMGAYQLYRR-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.76
Rot. Bonds1

About 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile

2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile (PubChem CID 104718691) has the molecular formula C14H8F2N4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
PubChem CID104718691
Molecular FormulaC14H8F2N4
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F2N4/c15-10-5-4-9(6-11(10)16)20-12-3-1-2-8(7-17)13(12)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyQMGCPMGAYQLYRR-UHFFFAOYSA-N
XLogP2.76
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
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-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
CID 107622292
2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718706
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-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile (CID 104718691) is 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile?
The InChIKey is QMGCPMGAYQLYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4/c15-10-5-4-9(6-11(10)16)20-12-3-1-2-8(7-17)13(12)19-14(20)18/h1-6H,(H2,18,19).
What are the key properties of 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile?
2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile has a molecular weight of 270.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).