2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

C16H22N4O — CID 18428049

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-10(2)20-8-6-11(7-9-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,10-11H,6-9H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyUGDXZOURHPLYNW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.25
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 18428049) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID18428049
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-10(2)20-8-6-11(7-9-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,10-11H,6-9H2,1-2H3,(H2,17,21)(H,18,19)
InChIKeyUGDXZOURHPLYNW-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137901
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 25190740
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25190722
2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137873
2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137872
2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 25194562
2-(1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 25190747

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (CID 18428049) is 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is UGDXZOURHPLYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)20-8-6-11(7-9-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,10-11H,6-9H2,1-2H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).