5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione

C16H19ClN2O3 — CID 167985666

IUPAC5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione
SMILESCOC/C(C)=C/CN1C(=O)NC(C)(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN2O3/c1-11(10-22-3)7-8-19-14(20)16(2,18-15(19)21)12-5-4-6-13(17)9-12/h4-7,9H,8,10H2,1-3H3,(H,18,21)/b11-7+
InChIKeyIXGLPCCSSFIOGR-YRNVUSSQSA-N
MW322.79 g/mol
LogP2.70
Rot. Bonds5

About 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione

5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione (PubChem CID 167985666) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione
PubChem CID167985666
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione
SMILESCOC/C(C)=C/CN1C(=O)NC(C)(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN2O3/c1-11(10-22-3)7-8-19-14(20)16(2,18-15(19)21)12-5-4-6-13(17)9-12/h4-7,9H,8,10H2,1-3H3,(H,18,21)/b11-7+
InChIKeyIXGLPCCSSFIOGR-YRNVUSSQSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 86795432
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-(3-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 55752375
(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 4882608
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56521213
methyl 4-[[4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 47092890
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2540696

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione (CID 167985666) is 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione is COC/C(C)=C/CN1C(=O)NC(C)(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is IXGLPCCSSFIOGR-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11(10-22-3)7-8-19-14(20)16(2,18-15(19)21)12-5-4-6-13(17)9-12/h4-7,9H,8,10H2,1-3H3,(H,18,21)/b11-7+.
What are the key properties of 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione?
5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 322.79 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[(E)-4-methoxy-3-methylbut-2-enyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 167985666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).