3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione

C16H22N2O4 — CID 136574650

IUPAC3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(O)C(C)O)C1=O
InChIInChI=1S/C16H22N2O4/c1-3-9-16(12-7-5-4-6-8-12)14(21)18(15(22)17-16)10-13(20)11(2)19/h4-8,11,13,19-20H,3,9-10H2,1-2H3,(H,17,22)
InChIKeyAGARDBXJNFXXBC-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.98
Rot. Bonds6

About 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione

3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 136574650) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID136574650
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(O)C(C)O)C1=O
InChIInChI=1S/C16H22N2O4/c1-3-9-16(12-7-5-4-6-8-12)14(21)18(15(22)17-16)10-13(20)11(2)19/h4-8,11,13,19-20H,3,9-10H2,1-2H3,(H,17,22)
InChIKeyAGARDBXJNFXXBC-UHFFFAOYSA-N
XLogP0.98
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
ethyl 4-[3-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-2-hydroxypropoxy]benzoate
CID 24562492
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8572588
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7041273
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione (CID 136574650) is 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione is CCCC1(c2ccccc2)NC(=O)N(CC(O)C(C)O)C1=O.
What is the InChIKey of 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is AGARDBXJNFXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-9-16(12-7-5-4-6-8-12)14(21)18(15(22)17-16)10-13(20)11(2)19/h4-8,11,13,19-20H,3,9-10H2,1-2H3,(H,17,22).
What are the key properties of 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione?
3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 306.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 136574650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).