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

C17H12FN3O3 — CID 6290589

IUPAC(5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
SMILESCC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C17H12FN3O3/c1-11-19-16(9-12-5-7-14(8-6-12)21(23)24)17(22)20(11)15-4-2-3-13(18)10-15/h2-10H,1H3/b16-9-
InChIKeyCWPUSTIUJXAUBO-SXGWCWSVSA-N
MW325.30 g/mol
LogP3.54
Rot. Bonds3

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

(5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one (PubChem CID 6290589) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
PubChem CID6290589
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name(5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
SMILESCC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C17H12FN3O3/c1-11-19-16(9-12-5-7-14(8-6-12)21(23)24)17(22)20(11)15-4-2-3-13(18)10-15/h2-10H,1H3/b16-9-
InChIKeyCWPUSTIUJXAUBO-SXGWCWSVSA-N
XLogP3.54
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(4Z)-1-(2,4-Difluorophenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 6292538
(4Z)-1-(4-Chlorophenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 6292539
(5E)-3-(2,4-dichlorophenyl)-2-methyl-5-(4-nitrobenzylidene)-3,5-dihydro-4H-imidazol-4-one
CID 9550257
(4Z)-1-(4-Bromo-3-methylphenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 9550810
(4Z)-1-(5-Chloro-2-methylphenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 9550811
4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-2-methyl-6-phenyl-
CID 3071129
(3E)-1-(4-Fluorophenyl)-3-[(4-nitrophenyl)methylidene]-5-phenyl-2,3-dihydro-1H-pyrrol-2-one
CID 5503061
(5Z)-3-(2,5-dichlorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 96893987
(5Z)-5-benzylidene-3-(2-methyl-5-nitrophenyl)-2-phenylimidazol-4-one
CID 5818597
(4Z)-1-(3-Chloro-4-methylphenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 9550807
(4Z)-1-(4-Chloro-2-methylphenyl)-2-methyl-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 46497467
(5Z)-3-(2-bromophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 75539002

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one (CID 6290589) is (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one is CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(F)c1.
What is the InChIKey of (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The InChIKey is CWPUSTIUJXAUBO-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H12FN3O3/c1-11-19-16(9-12-5-7-14(8-6-12)21(23)24)17(22)20(11)15-4-2-3-13(18)10-15/h2-10H,1H3/b16-9-.
What are the key properties of (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
(5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one has a molecular weight of 325.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 6290589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).