3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile

C17H15FN4O — CID 51295210

IUPAC3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(NCCO)nc3ccccc32)c(F)c1
InChIInChI=1S/C17H15FN4O/c18-14-9-12(10-19)5-6-13(14)11-22-16-4-2-1-3-15(16)21-17(22)20-7-8-23/h1-6,9,23H,7-8,11H2,(H,20,21)
InChIKeyGVCAJFAYJMTJRR-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.50
Rot. Bonds5

About 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile

3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 51295210) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID51295210
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(NCCO)nc3ccccc32)c(F)c1
InChIInChI=1S/C17H15FN4O/c18-14-9-12(10-19)5-6-13(14)11-22-16-4-2-1-3-15(16)21-17(22)20-7-8-23/h1-6,9,23H,7-8,11H2,(H,20,21)
InChIKeyGVCAJFAYJMTJRR-UHFFFAOYSA-N
XLogP2.50
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359745
2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
CID 71895290
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
CID 63811278
2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359718
(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
CID 94379783
4-[(1,3-benzoxazol-2-ylamino)methyl]-3-fluorobenzonitrile
CID 63359756
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 17466994
tert-butyl 3-[(4-cyano-2-fluorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate
CID 172553800

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile (CID 51295210) is 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2c(NCCO)nc3ccccc32)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is GVCAJFAYJMTJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-9-12(10-19)5-6-13(14)11-22-16-4-2-1-3-15(16)21-17(22)20-7-8-23/h1-6,9,23H,7-8,11H2,(H,20,21).
What are the key properties of 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile?
3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 310.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 51295210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).