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

C17H11F2N3O3 — CID 6292538

IUPAC(5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
SMILESCC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C17H11F2N3O3/c1-10-20-15(8-11-2-5-13(6-3-11)22(24)25)17(23)21(10)16-7-4-12(18)9-14(16)19/h2-9H,1H3/b15-8-
InChIKeyJUUMBKUCIAHACK-NVNXTCNLSA-N
MW343.29 g/mol
LogP3.68
Rot. Bonds3

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

(5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one (PubChem CID 6292538) has the molecular formula C17H11F2N3O3 and a molecular weight of 343.29 g/mol. Its IUPAC name is (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
PubChem CID6292538
Molecular FormulaC17H11F2N3O3
Molecular Weight343.29 g/mol
Exact Mass343.08
IUPAC Name(5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
SMILESCC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C17H11F2N3O3/c1-10-20-15(8-11-2-5-13(6-3-11)22(24)25)17(23)21(10)16-7-4-12(18)9-14(16)19/h2-9H,1H3/b15-8-
InChIKeyJUUMBKUCIAHACK-NVNXTCNLSA-N
XLogP3.68
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.68
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'}

Analyze (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-(3-fluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 6290589
(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-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one (CID 6292538) is (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one is CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1F.
What is the InChIKey of (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The InChIKey is JUUMBKUCIAHACK-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H11F2N3O3/c1-10-20-15(8-11-2-5-13(6-3-11)22(24)25)17(23)21(10)16-7-4-12(18)9-14(16)19/h2-9H,1H3/b15-8-.
What are the key properties of (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
(5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one has a molecular weight of 343.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2,4-difluorophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 6292538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).