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

C17H22N4 — CID 82311252

IUPAC2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2ccccc2n1CC#N)N1CCCCC1
InChIInChI=1S/C17H22N4/c1-2-15(20-11-6-3-7-12-20)17-19-14-8-4-5-9-16(14)21(17)13-10-18/h4-5,8-9,15H,2-3,6-7,11-13H2,1H3
InChIKeyBQINIJHJXQRPKH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.50
Rot. Bonds4

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

2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311252) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311252
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2ccccc2n1CC#N)N1CCCCC1
InChIInChI=1S/C17H22N4/c1-2-15(20-11-6-3-7-12-20)17-19-14-8-4-5-9-16(14)21(17)13-10-18/h4-5,8-9,15H,2-3,6-7,11-13H2,1H3
InChIKeyBQINIJHJXQRPKH-UHFFFAOYSA-N
XLogP3.50
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311249
2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311237
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
CID 82310698
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
CID 82311441
2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
CID 82311258
(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol
CID 40699118
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile (CID 82311252) is 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile is CCC(c1nc2ccccc2n1CC#N)N1CCCCC1.
What is the InChIKey of 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is BQINIJHJXQRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-15(20-11-6-3-7-12-20)17-19-14-8-4-5-9-16(14)21(17)13-10-18/h4-5,8-9,15H,2-3,6-7,11-13H2,1H3.
What are the key properties of 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).