(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one

C22H14FN3O3 — CID 2270690

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H14FN3O3/c23-17-8-12-18(13-9-17)25-21(16-4-2-1-3-5-16)24-20(22(25)27)14-15-6-10-19(11-7-15)26(28)29/h1-14H/b20-14-
InChIKeyFEQPXAJKFSWCLY-ZHZULCJRSA-N
MW387.37 g/mol
LogP4.57
Rot. Bonds4

About (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one

(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 2270690) has the molecular formula C22H14FN3O3 and a molecular weight of 387.37 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID2270690
Molecular FormulaC22H14FN3O3
Molecular Weight387.37 g/mol
Exact Mass387.10
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H14FN3O3/c23-17-8-12-18(13-9-17)25-21(16-4-2-1-3-5-16)24-20(22(25)27)14-15-6-10-19(11-7-15)26(28)29/h1-14H/b20-14-
InChIKeyFEQPXAJKFSWCLY-ZHZULCJRSA-N
XLogP4.57
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one (CID 2270690) is (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one is O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is FEQPXAJKFSWCLY-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H14FN3O3/c23-17-8-12-18(13-9-17)25-21(16-4-2-1-3-5-16)24-20(22(25)27)14-15-6-10-19(11-7-15)26(28)29/h1-14H/b20-14-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one?
(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 387.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 2270690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).