2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile

C15H10F2N4 — CID 82359162

IUPAC2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C15H10F2N4/c16-11-5-13-14(6-12(11)17)21(15(19)20-13)8-10-4-2-1-3-9(10)7-18/h1-6H,8H2,(H2,19,20)
InChIKeyOVFLMTSHMWSLPN-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.82
Rot. Bonds2

About 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile

2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile (PubChem CID 82359162) has the molecular formula C15H10F2N4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
PubChem CID82359162
Molecular FormulaC15H10F2N4
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N)nc2cc(F)c(F)cc21
InChIInChI=1S/C15H10F2N4/c16-11-5-13-14(6-12(11)17)21(15(19)20-13)8-10-4-2-1-3-9(10)7-18/h1-6H,8H2,(H2,19,20)
InChIKeyOVFLMTSHMWSLPN-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

1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101772
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009
2-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39157900
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 142668525
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile (CID 82359162) is 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile is N#Cc1ccccc1Cn1c(N)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile?
The InChIKey is OVFLMTSHMWSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4/c16-11-5-13-14(6-12(11)17)21(15(19)20-13)8-10-4-2-1-3-9(10)7-18/h1-6H,8H2,(H2,19,20).
What are the key properties of 2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile?
2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile 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-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 82359162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).