5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C20H18ClN3O3 — CID 3996617

IUPAC5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O
InChIInChI=1S/C20H18ClN3O3/c1-20(14-7-3-4-8-15(14)21)18(26)24(19(27)22-20)12-17(25)23-11-10-13-6-2-5-9-16(13)23/h2-9H,10-12H2,1H3,(H,22,27)
InChIKeyZMQFUCLHXQFFFW-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.70
Rot. Bonds3

About 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 3996617) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID3996617
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O
InChIInChI=1S/C20H18ClN3O3/c1-20(14-7-3-4-8-15(14)21)18(26)24(19(27)22-20)12-17(25)23-11-10-13-6-2-5-9-16(13)23/h2-9H,10-12H2,1H3,(H,22,27)
InChIKeyZMQFUCLHXQFFFW-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 3996617) is 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O.
What is the InChIKey of 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZMQFUCLHXQFFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-20(14-7-3-4-8-15(14)21)18(26)24(19(27)22-20)12-17(25)23-11-10-13-6-2-5-9-16(13)23/h2-9H,10-12H2,1H3,(H,22,27).
What are the key properties of 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 383.84 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 3996617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).