(5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one

C15H18N2O4 — CID 70808993

IUPAC(5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1cc(/C=C2\N=C(C)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-16-11(15(18)17(9)2)6-10-7-12(19-3)14(21-5)13(8-10)20-4/h6-8H,1-5H3/b11-6-
InChIKeyJVRBMRTZZOGTJZ-WDZFZDKYSA-N
MW290.32 g/mol
LogP1.94
Rot. Bonds4

About (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one

(5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one (PubChem CID 70808993) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
PubChem CID70808993
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1cc(/C=C2\N=C(C)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-9-16-11(15(18)17(9)2)6-10-7-12(19-3)14(21-5)13(8-10)20-4/h6-8H,1-5H3/b11-6-
InChIKeyJVRBMRTZZOGTJZ-WDZFZDKYSA-N
XLogP1.94
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one (CID 70808993) is (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one is COc1cc(/C=C2\N=C(C)N(C)C2=O)cc(OC)c1OC.
What is the InChIKey of (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one?
The InChIKey is JVRBMRTZZOGTJZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-16-11(15(18)17(9)2)6-10-7-12(19-3)14(21-5)13(8-10)20-4/h6-8H,1-5H3/b11-6-.
What are the key properties of (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one?
(5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one has a molecular weight of 290.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,3-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 70808993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).