(5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C19H21N3O3 — CID 95293050

IUPAC(5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)[nH]c3C)C2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-11-5-7-14(8-6-11)19(4)17(24)22(18(25)21-19)10-16(23)15-9-12(2)20-13(15)3/h5-9,20H,10H2,1-4H3,(H,21,25)/t19-/m0/s1
InChIKeyANSJJVUNXSSUQV-IBGZPJMESA-N
MW339.40 g/mol
LogP2.59
Rot. Bonds4

About (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

(5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 95293050) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID95293050
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)[nH]c3C)C2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-11-5-7-14(8-6-11)19(4)17(24)22(18(25)21-19)10-16(23)15-9-12(2)20-13(15)3/h5-9,20H,10H2,1-4H3,(H,21,25)/t19-/m0/s1
InChIKeyANSJJVUNXSSUQV-IBGZPJMESA-N
XLogP2.59
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.59
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

3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24622962
5-(2,4-dichlorophenyl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24621736
(5R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27141300
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
(5S)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178308
(5S)-5-(4-chlorophenyl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 30285921
(5S)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178272
5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60583030
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 7178281
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155532792

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 95293050) is (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)[nH]c3C)C2=O)cc1.
What is the InChIKey of (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is ANSJJVUNXSSUQV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-5-7-14(8-6-11)19(4)17(24)22(18(25)21-19)10-16(23)15-9-12(2)20-13(15)3/h5-9,20H,10H2,1-4H3,(H,21,25)/t19-/m0/s1.
What are the key properties of (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95293050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).