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

C21H22N4O4 — CID 22331411

IUPAC4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H22N4O4/c1-3-28-16-9-5-14(6-10-16)24-20(26)18-19(23-13-22-18)21(27)25-15-7-11-17(12-8-15)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeyMRNAINYLAPBEPU-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.71
Rot. Bonds8

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

4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 22331411) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID22331411
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C21H22N4O4/c1-3-28-16-9-5-14(6-10-16)24-20(26)18-19(23-13-22-18)21(27)25-15-7-11-17(12-8-15)29-4-2/h5-13H,3-4H2,1-2H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeyMRNAINYLAPBEPU-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

ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
4-N-[4-[(4-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424134
methyl 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118419349
ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
CID 46904173
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
N-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110860235
4-N-[4-[(2-chloro-5-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424146
3-chloro-N-(4-ethoxyphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62233417
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide (CID 22331411) is 4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide is CCOc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of 4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is MRNAINYLAPBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-28-16-9-5-14(6-10-16)24-20(26)18-19(23-13-22-18)21(27)25-15-7-11-17(12-8-15)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(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-bis(4-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(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 22331411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).