(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione

C22H26N2O3 — CID 7595657

IUPAC(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H26N2O3/c1-5-22(18-10-12-19(27-4)13-11-18)20(25)24(21(26)23-22)14-16-6-8-17(9-7-16)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,26)/t22-/m0/s1
InChIKeyRBSFXCQLSWBDNQ-QFIPXVFZSA-N
MW366.46 g/mol
LogP4.18
Rot. Bonds6

About (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 7595657) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID7595657
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H26N2O3/c1-5-22(18-10-12-19(27-4)13-11-18)20(25)24(21(26)23-22)14-16-6-8-17(9-7-16)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,26)/t22-/m0/s1
InChIKeyRBSFXCQLSWBDNQ-QFIPXVFZSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148239
2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 94752250
(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 8639227
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380
(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 52530084
(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 41307521
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 7595546

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione (CID 7595657) is (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is RBSFXCQLSWBDNQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-22(18-10-12-19(27-4)13-11-18)20(25)24(21(26)23-22)14-16-6-8-17(9-7-16)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,26)/t22-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 366.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7595657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).