5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione

C24H30N2O3 — CID 18267863

IUPAC5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
SMILESCc1cccc(OCCCN2C(=O)NC(C)(c3ccc(C(C)(C)C)cc3)C2=O)c1
InChIInChI=1S/C24H30N2O3/c1-17-8-6-9-20(16-17)29-15-7-14-26-21(27)24(5,25-22(26)28)19-12-10-18(11-13-19)23(2,3)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,25,28)
InChIKeyQVRWTDFKWJPHMF-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.53
Rot. Bonds6

About 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione

5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione (PubChem CID 18267863) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
PubChem CID18267863
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
SMILESCc1cccc(OCCCN2C(=O)NC(C)(c3ccc(C(C)(C)C)cc3)C2=O)c1
InChIInChI=1S/C24H30N2O3/c1-17-8-6-9-20(16-17)29-15-7-14-26-21(27)24(5,25-22(26)28)19-12-10-18(11-13-19)23(2,3)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,25,28)
InChIKeyQVRWTDFKWJPHMF-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602072
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione
CID 139004986
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 112774676
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 75858248

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione (CID 18267863) is 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione is Cc1cccc(OCCCN2C(=O)NC(C)(c3ccc(C(C)(C)C)cc3)C2=O)c1.
What is the InChIKey of 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione?
The InChIKey is QVRWTDFKWJPHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-8-6-9-20(16-17)29-15-7-14-26-21(27)24(5,25-22(26)28)19-12-10-18(11-13-19)23(2,3)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,25,28).
What are the key properties of 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione?
5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione has a molecular weight of 394.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18267863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).