(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one

C14H16N2O2 — CID 170794425

IUPAC(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one
SMILESCOc1ccc(/C(C)=C2\N=C(C)N(C)C2=O)cc1
InChIInChI=1S/C14H16N2O2/c1-9(11-5-7-12(18-4)8-6-11)13-14(17)16(3)10(2)15-13/h5-8H,1-4H3/b13-9-
InChIKeyFRVRMOIDDUGYKM-LCYFTJDESA-N
MW244.29 g/mol
LogP2.32
Rot. Bonds2

About (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one

(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one (PubChem CID 170794425) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one
PubChem CID170794425
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one
SMILESCOc1ccc(/C(C)=C2\N=C(C)N(C)C2=O)cc1
InChIInChI=1S/C14H16N2O2/c1-9(11-5-7-12(18-4)8-6-11)13-14(17)16(3)10(2)15-13/h5-8H,1-4H3/b13-9-
InChIKeyFRVRMOIDDUGYKM-LCYFTJDESA-N
XLogP2.32
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one?
The IUPAC name of (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one (CID 170794425) is (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one?
The canonical SMILES for (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one is COc1ccc(/C(C)=C2\N=C(C)N(C)C2=O)cc1.
What is the InChIKey of (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one?
The InChIKey is FRVRMOIDDUGYKM-LCYFTJDESA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(11-5-7-12(18-4)8-6-11)13-14(17)16(3)10(2)15-13/h5-8H,1-4H3/b13-9-.
What are the key properties of (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one?
(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one has a molecular weight of 244.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-methoxyphenyl)ethylidene]-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 170794425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).