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

C18H15N3O3S — CID 51288570

IUPAC3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C18H15N3O3S/c1-18(15-7-4-8-25-15)16(23)21(17(24)20-18)10-14(22)12-9-19-13-6-3-2-5-11(12)13/h2-9,19H,10H2,1H3,(H,20,24)
InChIKeySTIPBBZSPFWVHA-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.88
Rot. Bonds4

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

3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 51288570) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID51288570
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C18H15N3O3S/c1-18(15-7-4-8-25-15)16(23)21(17(24)20-18)10-14(22)12-9-19-13-6-3-2-5-11(12)13/h2-9,19H,10H2,1H3,(H,20,24)
InChIKeySTIPBBZSPFWVHA-UHFFFAOYSA-N
XLogP2.88
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580074
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060
5,5-diethyl-3-[2-(1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7181033
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 78764209
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
N-[4-[2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetyl]phenyl]butanamide
CID 51288680
5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 75884137
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049
N-[(3-chlorophenyl)methyl]-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288559

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 51288570) is 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is CC1(c2cccs2)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is STIPBBZSPFWVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-18(15-7-4-8-25-15)16(23)21(17(24)20-18)10-14(22)12-9-19-13-6-3-2-5-11(12)13/h2-9,19H,10H2,1H3,(H,20,24).
What are the key properties of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 353.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 51288570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).