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

C14H7F3N4 — CID 104718729

IUPAC2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H7F3N4/c15-8-4-5-9(12(17)11(8)16)21-10-3-1-2-7(6-18)13(10)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyFSJDSRHAJFFHBW-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.90
Rot. Bonds1

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

2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile (PubChem CID 104718729) has the molecular formula C14H7F3N4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
PubChem CID104718729
Molecular FormulaC14H7F3N4
Molecular Weight288.23 g/mol
Exact Mass288.06
IUPAC Name2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1F
InChIInChI=1S/C14H7F3N4/c15-8-4-5-9(12(17)11(8)16)21-10-3-1-2-7(6-18)13(10)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyFSJDSRHAJFFHBW-UHFFFAOYSA-N
XLogP2.90
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
CID 104718691
2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938
2-amino-1-(2-cyano-3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718770
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-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
CID 61075406
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
CID 104719050

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile (CID 104718729) is 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2-c1ccc(F)c(F)c1F.
What is the InChIKey of 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile?
The InChIKey is FSJDSRHAJFFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4/c15-8-4-5-9(12(17)11(8)16)21-10-3-1-2-7(6-18)13(10)20-14(21)19/h1-5H,(H2,19,20).
What are the key properties of 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile?
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile has a molecular weight of 288.23 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).