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

C13H14N4O3 — CID 851157

IUPAC4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H14N4O3/c1-14-12(18)10-11(16-7-15-10)13(19)17-8-3-5-9(20-2)6-4-8/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyZLNXQUVLYNVOLC-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.03
Rot. Bonds4

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

4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 851157) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID851157
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H14N4O3/c1-14-12(18)10-11(16-7-15-10)13(19)17-8-3-5-9(20-2)6-4-8/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyZLNXQUVLYNVOLC-UHFFFAOYSA-N
XLogP1.03
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ilp-IV-19
CID 16746630
N-(4-methoxyphenyl)-3-phenylimidazole-4-carboxamide
CID 9267164
8-[(4-Methoxyphenyl)amino]-3-methyl-1,3,7-trihydropurine-2,6-dione
CID 677347
N~4~-(3-methoxyphenyl)-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
CID 851156
1H-Imidazole-4,5-dicarboxylic acid bis-[(2-methoxy-phenyl)-amide]
CID 1104762
N4,N5-Bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 3244252
8-[(4-methoxyanilino)diazenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 3769237
N-(3-imidazol-1-ylpropyl)-N'-(4-methoxyphenyl)oxamide
CID 2856001
N-(3-methoxyphenyl)-1H-imidazole-4-carboxamide
CID 5299203
1H-Imidazole-4-carboxamide, N-(4-methoxyphenyl)-
CID 5297379
8-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 1089305
N~4~-(2-methoxyphenyl)-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
CID 851155

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 851157) is 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ZLNXQUVLYNVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-14-12(18)10-11(16-7-15-10)13(19)17-8-3-5-9(20-2)6-4-8/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 851157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).