4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide

C21H22N4O4 — CID 3244252

IUPAC4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OCC
InChIInChI=1S/C21H22N4O4/c1-3-28-16-11-7-5-9-14(16)24-20(26)18-19(23-13-22-18)21(27)25-15-10-6-8-12-17(15)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeySZCYGZRZCQFSST-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.71
Rot. Bonds8

About 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide

4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 3244252) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID3244252
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OCC
InChIInChI=1S/C21H22N4O4/c1-3-28-16-11-7-5-9-14(16)24-20(26)18-19(23-13-22-18)21(27)25-15-10-6-8-12-17(15)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeySZCYGZRZCQFSST-UHFFFAOYSA-N
XLogP3.71
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ilp-IV-19
CID 16746630
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
N~4~-(2-methoxyphenyl)-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
CID 851155
4-N-(4-methoxyphenyl)-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 1504661
N-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 16746600
Ilp-IV-22
CID 16746606
Ilp-IV-21
CID 16746631
5-N-benzyl-4-N-(4-methoxyphenyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 16746639
ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 961104
ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 961105
N~4~-(4-methoxyphenyl)-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
CID 851157

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide (CID 3244252) is 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide is CCOc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OCC.
What is the InChIKey of 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is SZCYGZRZCQFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-28-16-11-7-5-9-14(16)24-20(26)18-19(23-13-22-18)21(27)25-15-10-6-8-12-17(15)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 3244252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).