(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one

C18H22N2O2 — CID 102400551

IUPAC(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one
SMILESC=C[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)N1C=C=C(C)C
InChIInChI=1S/C18H22N2O2/c1-5-16-13-19(18(21)20(16)11-10-14(2)3)12-15-6-8-17(22-4)9-7-15/h5-9,11,16H,1,12-13H2,2-4H3/t16-/m1/s1
InChIKeyKWUQQJCZOSDSLI-MRXNPFEDSA-N
MW298.39 g/mol
LogP3.57
Rot. Bonds5

About (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one

(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one (PubChem CID 102400551) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one
PubChem CID102400551
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one
SMILESC=C[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)N1C=C=C(C)C
InChIInChI=1S/C18H22N2O2/c1-5-16-13-19(18(21)20(16)11-10-14(2)3)12-15-6-8-17(22-4)9-7-15/h5-9,11,16H,1,12-13H2,2-4H3/t16-/m1/s1
InChIKeyKWUQQJCZOSDSLI-MRXNPFEDSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
(4R)-4-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 134959095
6-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115009677
methyl 4-ethenyl-1-[(4-methoxyphenyl)methyl]-2-sulfanylidenepyrrolidine-3-carboxylate
CID 100975932
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 136583669
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
CID 102168019
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
(3aS,6R,7S,7aR)-2-[(4-methoxyphenyl)methyl]-6,7-diphenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 46178711
[(3S)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
CID 162415715
[(3R)-1-[(4-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-3-yl] acetate
CID 162415890
3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71375150

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one (CID 102400551) is (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one is C=C[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)N1C=C=C(C)C.
What is the InChIKey of (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one?
The InChIKey is KWUQQJCZOSDSLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-16-13-19(18(21)20(16)11-10-14(2)3)12-15-6-8-17(22-4)9-7-15/h5-9,11,16H,1,12-13H2,2-4H3/t16-/m1/s1.
What are the key properties of (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one?
(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one is sourced from PubChem (CID 102400551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).