5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide

C12H12N4O2 — CID 564868

IUPAC5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4O2/c1-13-11(17)9-10(15-7-14-9)12(18)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,17)(H,14,15)(H,16,18)
InChIKeyYOOJJIHFOJWDEM-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.02
Rot. Bonds3

About 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide

5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 564868) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
PubChem CID564868
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4O2/c1-13-11(17)9-10(15-7-14-9)12(18)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,17)(H,14,15)(H,16,18)
InChIKeyYOOJJIHFOJWDEM-UHFFFAOYSA-N
XLogP1.02
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide (CID 564868) is 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is YOOJJIHFOJWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-13-11(17)9-10(15-7-14-9)12(18)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,17)(H,14,15)(H,16,18).
What are the key properties of 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide?
5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 564868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).