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

C20H22N2O3 — CID 9120435

IUPAC(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(OCCN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-8-17(9-5-14)22-16(3)19(23)21(20(22)24)12-13-25-18-10-6-15(2)7-11-18/h4-11,16H,12-13H2,1-3H3/t16-/m1/s1
InChIKeyBUNRGCNGYCKJBL-MRXNPFEDSA-N
MW338.41 g/mol
LogP3.54
Rot. Bonds5

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

(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 9120435) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID9120435
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(OCCN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-8-17(9-5-14)22-16(3)19(23)21(20(22)24)12-13-25-18-10-6-15(2)7-11-18/h4-11,16H,12-13H2,1-3H3/t16-/m1/s1
InChIKeyBUNRGCNGYCKJBL-MRXNPFEDSA-N
XLogP3.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
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 (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 9120435) is (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(OCCN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is BUNRGCNGYCKJBL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-4-8-17(9-5-14)22-16(3)19(23)21(20(22)24)12-13-25-18-10-6-15(2)7-11-18/h4-11,16H,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9120435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).