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

C15H18N4 — CID 82311144

IUPAC2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(CN2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H18N4/c16-8-11-19-14-7-3-2-6-13(14)17-15(19)12-18-9-4-1-5-10-18/h2-3,6-7H,1,4-5,9-12H2
InChIKeyNQNWQQWZIQBTMP-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.55
Rot. Bonds3

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

2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311144) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311144
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(CN2CCCCC2)nc2ccccc21
InChIInChI=1S/C15H18N4/c16-8-11-19-14-7-3-2-6-13(14)17-15(19)12-18-9-4-1-5-10-18/h2-3,6-7H,1,4-5,9-12H2
InChIKeyNQNWQQWZIQBTMP-UHFFFAOYSA-N
XLogP2.55
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311161
2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile
CID 82311077
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
CID 39148173
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile (CID 82311144) is 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile is N#CCn1c(CN2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is NQNWQQWZIQBTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-8-11-19-14-7-3-2-6-13(14)17-15(19)12-18-9-4-1-5-10-18/h2-3,6-7H,1,4-5,9-12H2.
What are the key properties of 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).