3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile

C15H11FN4 — CID 62314956

IUPAC3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cn2c(N)nc3cc(F)ccc32)c1
InChIInChI=1S/C15H11FN4/c16-12-4-5-14-13(7-12)19-15(18)20(14)9-11-3-1-2-10(6-11)8-17/h1-7H,9H2,(H2,18,19)
InChIKeyNQYAWWOMDSOELR-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.68
Rot. Bonds2

About 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile

3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile (PubChem CID 62314956) has the molecular formula C15H11FN4 and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile
PubChem CID62314956
Molecular FormulaC15H11FN4
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC Name3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cn2c(N)nc3cc(F)ccc32)c1
InChIInChI=1S/C15H11FN4/c16-12-4-5-14-13(7-12)19-15(18)20(14)9-11-3-1-2-10(6-11)8-17/h1-7H,9H2,(H2,18,19)
InChIKeyNQYAWWOMDSOELR-UHFFFAOYSA-N
XLogP2.68
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
3-[(5,6-difluorobenzotriazol-2-yl)methyl]benzonitrile
CID 83968887
1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
CID 143383296
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
3-[(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)methyl]benzonitrile
CID 79297433
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
1-[(4,5-dimethylthiophen-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 65245395
3-[[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]benzonitrile
CID 79273521
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39148040
2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 170008421

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile (CID 62314956) is 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile is N#Cc1cccc(Cn2c(N)nc3cc(F)ccc32)c1.
What is the InChIKey of 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile?
The InChIKey is NQYAWWOMDSOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4/c16-12-4-5-14-13(7-12)19-15(18)20(14)9-11-3-1-2-10(6-11)8-17/h1-7H,9H2,(H2,18,19).
What are the key properties of 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile?
3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile has a molecular weight of 266.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-fluorobenzimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 62314956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).