(5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C16H18N2O2 — CID 900405

IUPAC(5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C16H18N2O2/c1-4-9-18-15(19)14(17-16(18)20)10-12-5-7-13(8-6-12)11(2)3/h4-8,10-11H,1,9H2,2-3H3,(H,17,20)/b14-10+
InChIKeyMNCVZGCOOHTWAD-GXDHUFHOSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds4

About (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 900405) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID900405
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C16H18N2O2/c1-4-9-18-15(19)14(17-16(18)20)10-12-5-7-13(8-6-12)11(2)3/h4-8,10-11H,1,9H2,2-3H3,(H,17,20)/b14-10+
InChIKeyMNCVZGCOOHTWAD-GXDHUFHOSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
(5E)-5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 6068274
(5E)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126137128
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5025593
(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126132542
(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126132686
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5E)-5-[[3,5-dichloro-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130942
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148692
(5E)-5-[[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126129725
methyl 2-[(4E)-2,5-dioxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 6369056

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 900405) is (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is MNCVZGCOOHTWAD-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-9-18-15(19)14(17-16(18)20)10-12-5-7-13(8-6-12)11(2)3/h4-8,10-11H,1,9H2,2-3H3,(H,17,20)/b14-10+.
What are the key properties of (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 900405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).