2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

C18H24N4O — CID 25190735

IUPAC2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCN(C4CCCC4)CC3)nc12
InChIInChI=1S/C18H24N4O/c19-17(23)14-6-3-7-15-16(14)21-18(20-15)12-8-10-22(11-9-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H2,19,23)(H,20,21)
InChIKeyXAYSTJWGYXJQIP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.78
Rot. Bonds3

About 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25190735) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25190735
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCN(C4CCCC4)CC3)nc12
InChIInChI=1S/C18H24N4O/c19-17(23)14-6-3-7-15-16(14)21-18(20-15)12-8-10-22(11-9-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H2,19,23)(H,20,21)
InChIKeyXAYSTJWGYXJQIP-UHFFFAOYSA-N
XLogP2.78
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (CID 25190735) is 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCN(C4CCCC4)CC3)nc12.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is XAYSTJWGYXJQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c19-17(23)14-6-3-7-15-16(14)21-18(20-15)12-8-10-22(11-9-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H2,19,23)(H,20,21).
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).