2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile

C15H18N4 — CID 63640680

IUPAC2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CC1CCCCN1
InChIInChI=1S/C15H18N4/c16-9-8-15-18-13-6-1-2-7-14(13)19(15)11-12-5-3-4-10-17-12/h1-2,6-7,12,17H,3-5,8,10-11H2
InChIKeyWPQGDVHJNRENOV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.24
Rot. Bonds3

About 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile

2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile (PubChem CID 63640680) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
PubChem CID63640680
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1CC1CCCCN1
InChIInChI=1S/C15H18N4/c16-9-8-15-18-13-6-1-2-7-14(13)19(15)11-12-5-3-4-10-17-12/h1-2,6-7,12,17H,3-5,8,10-11H2
InChIKeyWPQGDVHJNRENOV-UHFFFAOYSA-N
XLogP2.24
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638420
2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile
CID 63640507
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
2-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
CID 63638253
2-[1-[[2-(2-oxopropyl)pyrrolidin-1-yl]methyl]benzimidazol-2-yl]acetonitrile
CID 174698682
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(methylamino)propanenitrile
CID 63641541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile (CID 63640680) is 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1CC1CCCCN1.
What is the InChIKey of 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
The InChIKey is WPQGDVHJNRENOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-9-8-15-18-13-6-1-2-7-14(13)19(15)11-12-5-3-4-10-17-12/h1-2,6-7,12,17H,3-5,8,10-11H2.
What are the key properties of 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63640680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).