4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C12H11FN4O2 — CID 965337

IUPAC4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2/c1-14-11(18)9-10(16-6-15-9)12(19)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyQAVXROVDMNJQQH-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.16
Rot. Bonds3

About 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 965337) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID965337
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2/c1-14-11(18)9-10(16-6-15-9)12(19)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyQAVXROVDMNJQQH-UHFFFAOYSA-N
XLogP1.16
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide 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

Imidazole-4-carboxanilide
CID 312385
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-phenyl-
CID 1939378
5-Hydrazinocarbonyl-1H-imidazole-4-carboxylic acid p-tolylamide
CID 823571
ethyl 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 959599
5-(Hydrazinocarbonyl)-N-(2-nitrophenyl)-1H-imidazole-4-carboxamide
CID 3332392
5-Phenylcarbamoyl-3H-imidazole-4-carboxylic acid
CID 564859
5-(4-Amino-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
CID 3132734
N,N'-bis(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 5178210
1H-Imidazole-5-carboxamide, 4-benzoyl-N-phenyl-
CID 564890
N~4~-(4-chlorophenyl)-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
CID 965336
N~5~-(2-hydroxyethyl)-N~4~-{2-nitrophenyl}-1H-imidazole-4,5-dicarboxamide
CID 6426151
CID 137452626
CID 137452626

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 965337) is 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is QAVXROVDMNJQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-14-11(18)9-10(16-6-15-9)12(19)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 262.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 965337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).