(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione

C23H22N2O2 — CID 142628164

IUPAC(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
SMILESCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C23H22N2O2/c1-2-24-22(26)21(15-17-8-4-3-5-9-17)25(23(24)27)16-18-12-13-19-10-6-7-11-20(19)14-18/h3-14,21H,2,15-16H2,1H3/t21-/m0/s1
InChIKeyVULDLACXQRKXQX-NRFANRHFSA-N
MW358.44 g/mol
LogP4.24
Rot. Bonds5

About (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione

(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 142628164) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID142628164
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
SMILESCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C23H22N2O2/c1-2-24-22(26)21(15-17-8-4-3-5-9-17)25(23(24)27)16-18-12-13-19-10-6-7-11-20(19)14-18/h3-14,21H,2,15-16H2,1H3/t21-/m0/s1
InChIKeyVULDLACXQRKXQX-NRFANRHFSA-N
XLogP4.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione
CID 142653839
1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 118546703
(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562296
(2R,5R)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562295
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
(2S)-2-benzyl-1-(naphthalen-2-ylmethyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 11796451
4-[4-benzyl-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 57422389
2-[4-benzyl-3-(naphthalen-1-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 3699736
(1R,4S)-2-benzyl-1-(naphthalen-2-ylmethyl)-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 100927225
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(5S)-5-benzyl-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10623254
(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one
CID 69303892

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione (CID 142628164) is (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione is CCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O.
What is the InChIKey of (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is VULDLACXQRKXQX-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-24-22(26)21(15-17-8-4-3-5-9-17)25(23(24)27)16-18-12-13-19-10-6-7-11-20(19)14-18/h3-14,21H,2,15-16H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 142628164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).