2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile

C17H22N4 — CID 82311077

IUPAC2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile
SMILESCC(C#N)Cn1c(CN2CCCCC2)nc2ccccc21
InChIInChI=1S/C17H22N4/c1-14(11-18)12-21-16-8-4-3-7-15(16)19-17(21)13-20-9-5-2-6-10-20/h3-4,7-8,14H,2,5-6,9-10,12-13H2,1H3
InChIKeyMUVFXHQBPGBNSW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile

2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile (PubChem CID 82311077) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile
PubChem CID82311077
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile
SMILESCC(C#N)Cn1c(CN2CCCCC2)nc2ccccc21
InChIInChI=1S/C17H22N4/c1-14(11-18)12-21-16-8-4-3-7-15(16)19-17(21)13-20-9-5-2-6-10-20/h3-4,7-8,14H,2,5-6,9-10,12-13H2,1H3
InChIKeyMUVFXHQBPGBNSW-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 77096772
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
CID 95135172
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile?
The IUPAC name of 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile (CID 82311077) is 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile is CC(C#N)Cn1c(CN2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile?
The InChIKey is MUVFXHQBPGBNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14(11-18)12-21-16-8-4-3-7-15(16)19-17(21)13-20-9-5-2-6-10-20/h3-4,7-8,14H,2,5-6,9-10,12-13H2,1H3.
What are the key properties of 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile?
2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile has a molecular weight of 282.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile is sourced from PubChem (CID 82311077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).