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

C20H20N4O3 — CID 16746639

IUPAC5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H20N4O3/c1-24(12-14-6-4-3-5-7-14)20(26)18-17(21-13-22-18)19(25)23-15-8-10-16(27-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyZCCUEXNTOAHARK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.94
Rot. Bonds6

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

5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 16746639) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID16746639
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H20N4O3/c1-24(12-14-6-4-3-5-7-14)20(26)18-17(21-13-22-18)19(25)23-15-8-10-16(27-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyZCCUEXNTOAHARK-UHFFFAOYSA-N
XLogP2.94
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 16746639) is 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is COc1ccc(NC(=O)c2nc[nH]c2C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ZCCUEXNTOAHARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-24(12-14-6-4-3-5-7-14)20(26)18-17(21-13-22-18)19(25)23-15-8-10-16(27-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 16746639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).