(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C20H17N3O3 — CID 2580074

IUPAC(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C20H17N3O3/c1-20(13-7-3-2-4-8-13)18(25)23(19(26)22-20)12-17(24)15-11-21-16-10-6-5-9-14(15)16/h2-11,21H,12H2,1H3,(H,22,26)/t20-/m0/s1
InChIKeyWOZSNJCVQOZVDE-FQEVSTJZSA-N
MW347.37 g/mol
LogP2.82
Rot. Bonds4

About (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 2580074) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID2580074
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C20H17N3O3/c1-20(13-7-3-2-4-8-13)18(25)23(19(26)22-20)12-17(24)15-11-21-16-10-6-5-9-14(15)16/h2-11,21H,12H2,1H3,(H,22,26)/t20-/m0/s1
InChIKeyWOZSNJCVQOZVDE-FQEVSTJZSA-N
XLogP2.82
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 78764209
3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288570
5,5-diethyl-3-[2-(1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7181033
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049
(5R)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 40881994
2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide
CID 46656981
(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171078
N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
CID 40764733
(5R)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242269
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 4882182
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 2580074) is (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is WOZSNJCVQOZVDE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-20(13-7-3-2-4-8-13)18(25)23(19(26)22-20)12-17(24)15-11-21-16-10-6-5-9-14(15)16/h2-11,21H,12H2,1H3,(H,22,26)/t20-/m0/s1.
What are the key properties of (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 347.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2580074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).