N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H30N4O4 — CID 121239421

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(CC(C)C)c3nc4ccccc4[nH]3)CC2=O)c(OC)c1
InChIInChI=1S/C25H30N4O4/c1-15(2)11-20(24-26-18-7-5-6-8-19(18)27-24)28-25(31)16-12-23(30)29(14-16)21-10-9-17(32-3)13-22(21)33-4/h5-10,13,15-16,20H,11-12,14H2,1-4H3,(H,26,27)(H,28,31)
InChIKeyJDIVDSOHAUKHFL-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.84
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 121239421) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID121239421
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(CC(C)C)c3nc4ccccc4[nH]3)CC2=O)c(OC)c1
InChIInChI=1S/C25H30N4O4/c1-15(2)11-20(24-26-18-7-5-6-8-19(18)27-24)28-25(31)16-12-23(30)29(14-16)21-10-9-17(32-3)13-22(21)33-4/h5-10,13,15-16,20H,11-12,14H2,1-4H3,(H,26,27)(H,28,31)
InChIKeyJDIVDSOHAUKHFL-UHFFFAOYSA-N
XLogP3.84
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-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

(3S)-1-(2,4-dimethoxyphenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9268410
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
(3R)-1-(2,4-dimethoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9351694
4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 120689383
1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 4900418
2-cyclopropyl-2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 120686705
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9115666
1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4871430
1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 112762981
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 121239421) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC(CC(C)C)c3nc4ccccc4[nH]3)CC2=O)c(OC)c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JDIVDSOHAUKHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-15(2)11-20(24-26-18-7-5-6-8-19(18)27-24)28-25(31)16-12-23(30)29(14-16)21-10-9-17(32-3)13-22(21)33-4/h5-10,13,15-16,20H,11-12,14H2,1-4H3,(H,26,27)(H,28,31).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 121239421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).