(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione

C21H22N2O3 — CID 102382980

IUPAC(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@H]1C(=O)N(c2ccccc2)C(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(2)19-20(25)22(17-11-7-4-8-12-17)21(26)23(19)18(24)14-13-16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3/t19-/m0/s1
InChIKeyRAVLLOBPAOWZKZ-IBGZPJMESA-N
MW350.42 g/mol
LogP3.64
Rot. Bonds5

About (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 102382980) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID102382980
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@H]1C(=O)N(c2ccccc2)C(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(2)19-20(25)22(17-11-7-4-8-12-17)21(26)23(19)18(24)14-13-16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3/t19-/m0/s1
InChIKeyRAVLLOBPAOWZKZ-IBGZPJMESA-N
XLogP3.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
CID 102306788
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(5S)-1-[(2R,3S)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoyl]-3-phenyl-5-propan-2-ylimidazolidine-2,4-dione
CID 102306783
3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 101436550
(4S)-4-methyl-3-(3-phenylpropanoyl)-1,3-oxazolidine-2,5-dione
CID 59119731
(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 67737802
2-methyl-1-[2-(3-phenylpropanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 134071367
lanthanum;3-phenylpropanoic acid
CID 174887955
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033
2-[(4S)-2,5-dioxo-1-phenyl-3-propan-2-ylimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 7340927
5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
8-[3-(3-methoxyphenyl)propanoyl]-2-phenyl-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 146074014

Frequently Asked Questions

What is the IUPAC name of (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione (CID 102382980) is (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@H]1C(=O)N(c2ccccc2)C(=O)N1C(=O)CCc1ccccc1.
What is the InChIKey of (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is RAVLLOBPAOWZKZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(2)19-20(25)22(17-11-7-4-8-12-17)21(26)23(19)18(24)14-13-16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102382980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).