2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide

C25H38N4O2 — CID 46880032

IUPAC2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C25H38N4O2/c1-26-24(30)19-28-22-13-9-10-14-23(22)29(25(28)31)21-15-17-27(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,26,30)
InChIKeyOGNMDRLCQRJUJR-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.08
Rot. Bonds4

About 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 46880032) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID46880032
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C25H38N4O2/c1-26-24(30)19-28-22-13-9-10-14-23(22)29(25(28)31)21-15-17-27(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,26,30)
InChIKeyOGNMDRLCQRJUJR-UHFFFAOYSA-N
XLogP4.08
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
Bimu 1
CID 9929033
Itasetron
CID 6918106
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 130946
3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 131725
8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9842289
3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 14762874
4-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264262
(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-isopentyl-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576654
Benzimidazolone scaffold, 15g
CID 25256850

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 46880032) is 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is OGNMDRLCQRJUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-26-24(30)19-28-22-13-9-10-14-23(22)29(25(28)31)21-15-17-27(18-16-21)20-11-7-5-3-2-4-6-8-12-20/h9-10,13-14,20-21H,2-8,11-12,15-19H2,1H3,(H,26,30).
What are the key properties of 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 426.61 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclodecylpiperidin-4-yl)-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 46880032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).