(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one

C23H18N2O2 — CID 1275100

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H18N2O2/c1-27-20-14-12-17(13-15-20)16-21-23(26)25(19-10-6-3-7-11-19)22(24-21)18-8-4-2-5-9-18/h2-16H,1H3/b21-16-
InChIKeyIIBFHRYEKMHKHT-PGMHBOJBSA-N
MW354.41 g/mol
LogP4.53
Rot. Bonds4

About (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one (PubChem CID 1275100) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
PubChem CID1275100
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H18N2O2/c1-27-20-14-12-17(13-15-20)16-21-23(26)25(19-10-6-3-7-11-19)22(24-21)18-8-4-2-5-9-18/h2-16H,1H3/b21-16-
InChIKeyIIBFHRYEKMHKHT-PGMHBOJBSA-N
XLogP4.53
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one (CID 1275100) is (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one is COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one?
The InChIKey is IIBFHRYEKMHKHT-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-20-14-12-17(13-15-20)16-21-23(26)25(19-10-6-3-7-11-19)22(24-21)18-8-4-2-5-9-18/h2-16H,1H3/b21-16-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one has a molecular weight of 354.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-2,3-diphenylimidazol-4-one is sourced from PubChem (CID 1275100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).