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

C21H17Cl2N3O3 — CID 2112150

IUPAC(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C21H17Cl2N3O3/c1-11-18(13-5-3-4-6-16(13)24-11)17(27)10-26-19(28)21(2,25-20(26)29)14-8-7-12(22)9-15(14)23/h3-9,24H,10H2,1-2H3,(H,25,29)/t21-/m0/s1
InChIKeyHOBBEEBWMMWPBH-NRFANRHFSA-N
MW430.29 g/mol
LogP4.43
Rot. Bonds4

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

(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 2112150) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID2112150
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C21H17Cl2N3O3/c1-11-18(13-5-3-4-6-16(13)24-11)17(27)10-26-19(28)21(2,25-20(26)29)14-8-7-12(22)9-15(14)23/h3-9,24H,10H2,1-2H3,(H,25,29)/t21-/m0/s1
InChIKeyHOBBEEBWMMWPBH-NRFANRHFSA-N
XLogP4.43
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 54.43
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

(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 40745114
5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60597012
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817
5-(2,4-dichlorophenyl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24621736
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595995
(5R)-5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9451712
5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 4804402
(5R)-5-(2,4-dichlorophenyl)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7626269
5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880189
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
5-(2,4-dichlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
CID 46817883
3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3582932

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 2112150) is (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is HOBBEEBWMMWPBH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-11-18(13-5-3-4-6-16(13)24-11)17(27)10-26-19(28)21(2,25-20(26)29)14-8-7-12(22)9-15(14)23/h3-9,24H,10H2,1-2H3,(H,25,29)/t21-/m0/s1.
What are the key properties of (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 430.29 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2112150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).