(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C22H22N2O3 — CID 7179307

IUPAC(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C22H22N2O3/c1-2-22(18-9-4-3-5-10-18)20(26)24(21(27)23-22)14-19(25)17-12-11-15-7-6-8-16(15)13-17/h3-5,9-13H,2,6-8,14H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyKFPVPMVODOGHSI-QFIPXVFZSA-N
MW362.43 g/mol
LogP3.22
Rot. Bonds5

About (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 7179307) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID7179307
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C22H22N2O3/c1-2-22(18-9-4-3-5-10-18)20(26)24(21(27)23-22)14-19(25)17-12-11-15-7-6-8-16(15)13-17/h3-5,9-13H,2,6-8,14H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyKFPVPMVODOGHSI-QFIPXVFZSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-aminophenyl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 68734886
(5R)-5-ethyl-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41256841
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 41256884
(5S)-5-ethyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41253437
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 7178281
(5R)-5-(3,4-difluorophenyl)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 27145082

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 7179307) is (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is KFPVPMVODOGHSI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-22(18-9-4-3-5-10-18)20(26)24(21(27)23-22)14-19(25)17-12-11-15-7-6-8-16(15)13-17/h3-5,9-13H,2,6-8,14H2,1H3,(H,23,27)/t22-/m0/s1.
What are the key properties of (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7179307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).