2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid

C22H26N2O4 — CID 68539667

IUPAC2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid
SMILESCOc1ccc(C2CN(Cc3ccccc3)C(=O)N2C(C(=O)O)C(C)C)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)20(21(25)26)24-19(17-9-11-18(28-3)12-10-17)14-23(22(24)27)13-16-7-5-4-6-8-16/h4-12,15,19-20H,13-14H2,1-3H3,(H,25,26)
InChIKeyPOIVKCUXUGDIQC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.78
Rot. Bonds7

About 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid

2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid (PubChem CID 68539667) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid
PubChem CID68539667
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid
SMILESCOc1ccc(C2CN(Cc3ccccc3)C(=O)N2C(C(=O)O)C(C)C)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)20(21(25)26)24-19(17-9-11-18(28-3)12-10-17)14-23(22(24)27)13-16-7-5-4-6-8-16/h4-12,15,19-20H,13-14H2,1-3H3,(H,25,26)
InChIKeyPOIVKCUXUGDIQC-UHFFFAOYSA-N
XLogP3.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid 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-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
CID 11689795
1-benzyl-4-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347577
(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347611
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 141031782
(3S)-1-[(4-methoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylpyrrolidine-3-carbonyl]-3-phenylpyrrolidin-2-one
CID 24756264
(4R)-3-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 153407374
(3R,4S)-4-benzoyl-1-benzyl-3-[methoxy-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 102080275
2-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119197288
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid?
The IUPAC name of 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid (CID 68539667) is 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid is COc1ccc(C2CN(Cc3ccccc3)C(=O)N2C(C(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid?
The InChIKey is POIVKCUXUGDIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)20(21(25)26)24-19(17-9-11-18(28-3)12-10-17)14-23(22(24)27)13-16-7-5-4-6-8-16/h4-12,15,19-20H,13-14H2,1-3H3,(H,25,26).
What are the key properties of 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid?
2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid has a molecular weight of 382.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-5-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 68539667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).