(5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one

C22H14ClFN2O2 — CID 1273357

IUPAC(5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one
SMILESO=C1/C(=C/c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C22H14ClFN2O2/c23-16-7-5-14(6-8-16)21-25-20(13-15-3-1-2-4-19(15)24)22(28)26(21)17-9-11-18(27)12-10-17/h1-13,27H/b20-13-
InChIKeyTVKVZOBAXVQQJQ-MOSHPQCFSA-N
MW392.82 g/mol
LogP5.02
Rot. Bonds3

About (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one

(5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one (PubChem CID 1273357) has the molecular formula C22H14ClFN2O2 and a molecular weight of 392.82 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one
PubChem CID1273357
Molecular FormulaC22H14ClFN2O2
Molecular Weight392.82 g/mol
Exact Mass392.07
IUPAC Name(5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one
SMILESO=C1/C(=C/c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C22H14ClFN2O2/c23-16-7-5-14(6-8-16)21-25-20(13-15-3-1-2-4-19(15)24)22(28)26(21)17-9-11-18(27)12-10-17/h1-13,27H/b20-13-
InChIKeyTVKVZOBAXVQQJQ-MOSHPQCFSA-N
XLogP5.02
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.82
LogP ≤ 55.02
H-Bond Donors ≤ 51
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)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one (CID 1273357) is (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one is O=C1/C(=C/c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one?
The InChIKey is TVKVZOBAXVQQJQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H14ClFN2O2/c23-16-7-5-14(6-8-16)21-25-20(13-15-3-1-2-4-19(15)24)22(28)26(21)17-9-11-18(27)12-10-17/h1-13,27H/b20-13-.
What are the key properties of (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one?
(5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one has a molecular weight of 392.82 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)-5-[(2-fluorophenyl)methylidene]-3-(4-hydroxyphenyl)imidazol-4-one is sourced from PubChem (CID 1273357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).