2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile

C20H21N5 — CID 118784728

IUPAC2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile
SMILESCc1ccc2nc(C3CCN(Cc4cc(C#N)ccn4)CC3)[nH]c2c1
InChIInChI=1S/C20H21N5/c1-14-2-3-18-19(10-14)24-20(23-18)16-5-8-25(9-6-16)13-17-11-15(12-21)4-7-22-17/h2-4,7,10-11,16H,5-6,8-9,13H2,1H3,(H,23,24)
InChIKeyGFBHVRXIDWUMLU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.52
Rot. Bonds3

About 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile

2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile (PubChem CID 118784728) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile
PubChem CID118784728
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile
SMILESCc1ccc2nc(C3CCN(Cc4cc(C#N)ccn4)CC3)[nH]c2c1
InChIInChI=1S/C20H21N5/c1-14-2-3-18-19(10-14)24-20(23-18)16-5-8-25(9-6-16)13-17-11-15(12-21)4-7-22-17/h2-4,7,10-11,16H,5-6,8-9,13H2,1H3,(H,23,24)
InChIKeyGFBHVRXIDWUMLU-UHFFFAOYSA-N
XLogP3.52
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
2-[(3S)-1-acetylpyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile
CID 51137025
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CID 51137097
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 108781623
benzyl 4-(6-cyano-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 22028923
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97328833
formic acid;N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 154909579
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile (CID 118784728) is 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile is Cc1ccc2nc(C3CCN(Cc4cc(C#N)ccn4)CC3)[nH]c2c1.
What is the InChIKey of 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile?
The InChIKey is GFBHVRXIDWUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-2-3-18-19(10-14)24-20(23-18)16-5-8-25(9-6-16)13-17-11-15(12-21)4-7-22-17/h2-4,7,10-11,16H,5-6,8-9,13H2,1H3,(H,23,24).
What are the key properties of 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile?
2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile has a molecular weight of 331.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyridine-4-carbonitrile is sourced from PubChem (CID 118784728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).