(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

C24H30N2O2 — CID 7595987

IUPAC(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1
InChIInChI=1S/C24H30N2O2/c1-16(2)18-9-13-20(14-10-18)24(6)21(27)26(22(28)25-24)15-17-7-11-19(12-8-17)23(3,4)5/h7-14,16H,15H2,1-6H3,(H,25,28)/t24-/m1/s1
InChIKeyKRIDIEKALIXTDA-XMMPIXPASA-N
MW378.52 g/mol
LogP5.07
Rot. Bonds4

About (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 7595987) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID7595987
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1
InChIInChI=1S/C24H30N2O2/c1-16(2)18-9-13-20(14-10-18)24(6)21(27)26(22(28)25-24)15-17-7-11-19(12-8-17)23(3,4)5/h7-14,16H,15H2,1-6H3,(H,25,28)/t24-/m1/s1
InChIKeyKRIDIEKALIXTDA-XMMPIXPASA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 7812605
methyl 4-[[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]methyl]benzoate
CID 7595709
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7181454
N-(4-tert-butylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595762
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
(5S)-3-[(2-fluorophenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595704
(5R)-5-methyl-3-(3-oxobutyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7571644
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
(5S)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7242913
4-[[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2089145

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (CID 7595987) is (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1.
What is the InChIKey of (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is KRIDIEKALIXTDA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O2/c1-16(2)18-9-13-20(14-10-18)24(6)21(27)26(22(28)25-24)15-17-7-11-19(12-8-17)23(3,4)5/h7-14,16H,15H2,1-6H3,(H,25,28)/t24-/m1/s1.
What are the key properties of (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 378.52 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7595987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).