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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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).