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

C15H11FN4 — CID 104718706

IUPAC2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1ccc(F)cc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H11FN4/c1-9-5-6-11(16)7-13(9)20-12-4-2-3-10(8-17)14(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyNUVDTXKZXICDNX-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.93
Rot. Bonds1

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

2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile (PubChem CID 104718706) has the molecular formula C15H11FN4 and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
PubChem CID104718706
Molecular FormulaC15H11FN4
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC Name2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1ccc(F)cc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H11FN4/c1-9-5-6-11(16)7-13(9)20-12-4-2-3-10(8-17)14(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyNUVDTXKZXICDNX-UHFFFAOYSA-N
XLogP2.93
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
2-amino-1-(2-cyano-3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718770
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
CID 104719050
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-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile (CID 104718706) is 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile is Cc1ccc(F)cc1-n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
The InChIKey is NUVDTXKZXICDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4/c1-9-5-6-11(16)7-13(9)20-12-4-2-3-10(8-17)14(12)19-15(20)18/h2-7H,1H3,(H2,18,19).
What are the key properties of 2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile?
2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile has a molecular weight of 266.28 g/mol, XLogP of 2.93, 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-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).