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

C18H15N3O3 — CID 156601214

IUPAC(5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one
SMILESCC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C18H15N3O3/c1-12-3-7-15(8-4-12)20-13(2)19-17(18(20)22)11-14-5-9-16(10-6-14)21(23)24/h3-11H,1-2H3/b17-11-
InChIKeyNXNHHZCUNMEEAS-BOPFTXTBSA-N
MW321.34 g/mol
LogP3.71
Rot. Bonds3

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

(5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one (PubChem CID 156601214) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one
PubChem CID156601214
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one
SMILESCC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C18H15N3O3/c1-12-3-7-15(8-4-12)20-13(2)19-17(18(20)22)11-14-5-9-16(10-6-14)21(23)24/h3-11H,1-2H3/b17-11-
InChIKeyNXNHHZCUNMEEAS-BOPFTXTBSA-N
XLogP3.71
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.71
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)-2-methyl-3-(4-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one (CID 156601214) is (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one is CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(C)cc1.
What is the InChIKey of (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
The InChIKey is NXNHHZCUNMEEAS-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12-3-7-15(8-4-12)20-13(2)19-17(18(20)22)11-14-5-9-16(10-6-14)21(23)24/h3-11H,1-2H3/b17-11-.
What are the key properties of (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one?
(5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one has a molecular weight of 321.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 156601214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).