5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione

C21H24N2O3 — CID 139010350

IUPAC5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
SMILESCC(CCc1ccc(O)cc1)N1C(=O)C(Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C21H24N2O3/c1-15(8-9-16-10-12-18(24)13-11-16)23-20(25)19(22(2)21(23)26)14-17-6-4-3-5-7-17/h3-7,10-13,15,19,24H,8-9,14H2,1-2H3
InChIKeyYLHMHKZFXCCEEN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.22
Rot. Bonds6

About 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione

5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione (PubChem CID 139010350) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
PubChem CID139010350
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
SMILESCC(CCc1ccc(O)cc1)N1C(=O)C(Cc2ccccc2)N(C)C1=O
InChIInChI=1S/C21H24N2O3/c1-15(8-9-16-10-12-18(24)13-11-16)23-20(25)19(22(2)21(23)26)14-17-6-4-3-5-7-17/h3-7,10-13,15,19,24H,8-9,14H2,1-2H3
InChIKeyYLHMHKZFXCCEEN-UHFFFAOYSA-N
XLogP3.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione 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

5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
(3S,6S,9aR)-3-benzyl-2-[3-(4-hydroxyphenyl)propanoyl]-8-(3-methylbutyl)-6-(2-methylpropyl)-3,6,9,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-4,7-dione
CID 164590123
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide
CID 167966063
(2S)-2-[(4-hydroxyphenyl)methyl]-4-(3-methoxypropyl)-1-(2-phenylethylamino)-2H-pyrazin-3-one
CID 101436634
1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
CID 65066557
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
(3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3082463
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
2-methyl-4-phenylbutanoic acid
CID 66896591
10-benzyl-4-[(4-hydroxyphenyl)methyl]-5,13-dimethyl-7-(2-methylpropyl)-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone
CID 56674416
6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-4,7-dioxo-8-[1-oxo-1-(2-phenylethylamino)hexan-2-yl]-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylic acid
CID 170355902

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione (CID 139010350) is 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione is CC(CCc1ccc(O)cc1)N1C(=O)C(Cc2ccccc2)N(C)C1=O.
What is the InChIKey of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
The InChIKey is YLHMHKZFXCCEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(8-9-16-10-12-18(24)13-11-16)23-20(25)19(22(2)21(23)26)14-17-6-4-3-5-7-17/h3-7,10-13,15,19,24H,8-9,14H2,1-2H3.
What are the key properties of 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione?
5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione has a molecular weight of 352.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 139010350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).