2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide

C16H22N4O — CID 44568000

IUPAC2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)(c1nc2c(C(N)=O)cccc2[nH]1)N1CCCCC1
InChIInChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyDGRRONUEGQIKCT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds3

About 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide

2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 44568000) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID44568000
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)(c1nc2c(C(N)=O)cccc2[nH]1)N1CCCCC1
InChIInChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyDGRRONUEGQIKCT-UHFFFAOYSA-N
XLogP2.38
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide (CID 44568000) is 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide is CC(C)(c1nc2c(C(N)=O)cccc2[nH]1)N1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is DGRRONUEGQIKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,20-9-4-3-5-10-20)15-18-12-8-6-7-11(14(17)21)13(12)19-15/h6-8H,3-5,9-10H2,1-2H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylpropan-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44568000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).