4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C13H14N4O3 — CID 851155

IUPAC4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H14N4O3/c1-14-12(18)10-11(16-7-15-10)13(19)17-8-5-3-4-6-9(8)20-2/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyZCXIITLBXZWRPW-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.03
Rot. Bonds4

About 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 851155) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID851155
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H14N4O3/c1-14-12(18)10-11(16-7-15-10)13(19)17-8-5-3-4-6-9(8)20-2/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19)
InChIKeyZCXIITLBXZWRPW-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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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 851155) is 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC.
What is the InChIKey of 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ZCXIITLBXZWRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-14-12(18)10-11(16-7-15-10)13(19)17-8-5-3-4-6-9(8)20-2/h3-7H,1-2H3,(H,14,18)(H,15,16)(H,17,19).
What are the key properties of 4-N-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-(2-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-(2-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 851155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).