3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide

C22H13FN4O2 — CID 6218664

IUPAC3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide
SMILESO=C1/C(=N\NC(=O)c2cncn2-c2ccc(F)cc2)c2cccc3cccc1c23
InChIInChI=1S/C22H13FN4O2/c23-14-7-9-15(10-8-14)27-12-24-11-18(27)22(29)26-25-20-16-5-1-3-13-4-2-6-17(19(13)16)21(20)28/h1-12H,(H,26,29)/b25-20-
InChIKeyHIUPFSUMMHXNSV-QQTULTPQSA-N
MW384.37 g/mol
LogP3.49
Rot. Bonds3

About 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide (PubChem CID 6218664) has the molecular formula C22H13FN4O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide
PubChem CID6218664
Molecular FormulaC22H13FN4O2
Molecular Weight384.37 g/mol
Exact Mass384.10
IUPAC Name3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide
SMILESO=C1/C(=N\NC(=O)c2cncn2-c2ccc(F)cc2)c2cccc3cccc1c23
InChIInChI=1S/C22H13FN4O2/c23-14-7-9-15(10-8-14)27-12-24-11-18(27)22(29)26-25-20-16-5-1-3-13-4-2-6-17(19(13)16)21(20)28/h1-12H,(H,26,29)/b25-20-
InChIKeyHIUPFSUMMHXNSV-QQTULTPQSA-N
XLogP3.49
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide 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 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide (CID 6218664) is 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide is O=C1/C(=N\NC(=O)c2cncn2-c2ccc(F)cc2)c2cccc3cccc1c23.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide?
The InChIKey is HIUPFSUMMHXNSV-QQTULTPQSA-N. The full InChI is InChI=1S/C22H13FN4O2/c23-14-7-9-15(10-8-14)27-12-24-11-18(27)22(29)26-25-20-16-5-1-3-13-4-2-6-17(19(13)16)21(20)28/h1-12H,(H,26,29)/b25-20-.
What are the key properties of 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide has a molecular weight of 384.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]imidazole-4-carboxamide is sourced from PubChem (CID 6218664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).