2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile

C15H10F2N4 — CID 104714940

IUPAC2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(Cc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C15H10F2N4/c16-11-3-1-10(5-12(11)17)8-21-14-6-9(7-18)2-4-13(14)20-15(21)19/h1-6H,8H2,(H2,19,20)
InChIKeyCBIWRQAFSDQHFN-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile

2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile (PubChem CID 104714940) has the molecular formula C15H10F2N4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
PubChem CID104714940
Molecular FormulaC15H10F2N4
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(Cc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C15H10F2N4/c16-11-3-1-10(5-12(11)17)8-21-14-6-9(7-18)2-4-13(14)20-15(21)19/h1-6H,8H2,(H2,19,20)
InChIKeyCBIWRQAFSDQHFN-UHFFFAOYSA-N
XLogP2.82
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-3-[(4-fluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104715292
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
CID 104714921
3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile
CID 62314956
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 104715041
2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106035643
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
CID 104714857

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile (CID 104714940) is 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(Cc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is CBIWRQAFSDQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4/c16-11-3-1-10(5-12(11)17)8-21-14-6-9(7-18)2-4-13(14)20-15(21)19/h1-6H,8H2,(H2,19,20).
What are the key properties of 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile?
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 284.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).