N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide

C29H46N4O3 — CID 176968655

IUPACN-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
SMILESCCCC(CCC(C)C)CN1CCC(c2ccc3c(c2)n(C)c(=O)n3C(CCC=O)C(=O)NC)CC1
InChIInChI=1S/C29H46N4O3/c1-6-8-22(11-10-21(2)3)20-32-16-14-23(15-17-32)24-12-13-25-27(19-24)31(5)29(36)33(25)26(9-7-18-34)28(35)30-4/h12-13,18-19,21-23,26H,6-11,14-17,20H2,1-5H3,(H,30,35)
InChIKeyYAKKNOMDEFQZAC-UHFFFAOYSA-N
MW498.71 g/mol
LogP4.64
Rot. Bonds13

About N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide

N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (PubChem CID 176968655) has the molecular formula C29H46N4O3 and a molecular weight of 498.71 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
PubChem CID176968655
Molecular FormulaC29H46N4O3
Molecular Weight498.71 g/mol
Exact Mass498.36
IUPAC NameN-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
SMILESCCCC(CCC(C)C)CN1CCC(c2ccc3c(c2)n(C)c(=O)n3C(CCC=O)C(=O)NC)CC1
InChIInChI=1S/C29H46N4O3/c1-6-8-22(11-10-21(2)3)20-32-16-14-23(15-17-32)24-12-13-25-27(19-24)31(5)29(36)33(25)26(9-7-18-34)28(35)30-4/h12-13,18-19,21-23,26H,6-11,14-17,20H2,1-5H3,(H,30,35)
InChIKeyYAKKNOMDEFQZAC-UHFFFAOYSA-N
XLogP4.64
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide 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-(3-(1-((1r,4r)-4-isopropylcyclohexyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 45102745
N-methyl-2-(2-oxo-6-phenyl-2,3-dihydro-1H-benzimidazol-1-yl)-N-phenylacetamide
CID 23153799
Pyrrolidine-1,2-dicarboxylic acid 2-[(2-cyclohex-1-enyl-ethyl)-amide] 1-p-tolylamide
CID 644827
2-(3-(1-(4-tert-butylcyclohexyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46880090
N-methyl-2-(2-oxo-3-(1-(4-phenylcyclohexyl)piperidin-4-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
CID 46880115
trans-(1R,2R)-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 118722108
3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
CID 155554507
5-[3-Oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164622905
(3S)-3-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 89183175
6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 89183240
(S)-N-(2,6-Dioxopiperidin-3-yl)-N-methylindoline-1-carboxamide
CID 137525738
N-(2,6-Dioxopiperidin-3-yl)-N-methylindoline-1-carboxamide
CID 137533624

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (CID 176968655) is N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is CCCC(CCC(C)C)CN1CCC(c2ccc3c(c2)n(C)c(=O)n3C(CCC=O)C(=O)NC)CC1.
What is the InChIKey of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The InChIKey is YAKKNOMDEFQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O3/c1-6-8-22(11-10-21(2)3)20-32-16-14-23(15-17-32)24-12-13-25-27(19-24)31(5)29(36)33(25)26(9-7-18-34)28(35)30-4/h12-13,18-19,21-23,26H,6-11,14-17,20H2,1-5H3,(H,30,35).
What are the key properties of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide has a molecular weight of 498.71 g/mol, XLogP of 4.64, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is sourced from PubChem (CID 176968655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).