(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C20H22N2O2 — CID 9360457

IUPAC(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)C(=O)[C@H]2C)cc1
InChIInChI=1S/C20H22N2O2/c1-13-6-9-18(10-7-13)22-16(4)19(23)21(20(22)24)12-17-11-14(2)5-8-15(17)3/h5-11,16H,12H2,1-4H3/t16-/m1/s1
InChIKeyJYTWSSDJDCCUAQ-MRXNPFEDSA-N
MW322.41 g/mol
LogP3.97
Rot. Bonds3

About (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 9360457) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID9360457
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)C(=O)[C@H]2C)cc1
InChIInChI=1S/C20H22N2O2/c1-13-6-9-18(10-7-13)22-16(4)19(23)21(20(22)24)12-17-11-14(2)5-8-15(17)3/h5-11,16H,12H2,1-4H3/t16-/m1/s1
InChIKeyJYTWSSDJDCCUAQ-MRXNPFEDSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 9360457) is (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)C(=O)[C@H]2C)cc1.
What is the InChIKey of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is JYTWSSDJDCCUAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-6-9-18(10-7-13)22-16(4)19(23)21(20(22)24)12-17-11-14(2)5-8-15(17)3/h5-11,16H,12H2,1-4H3/t16-/m1/s1.
What are the key properties of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9360457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).