ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate

C18H22N4O4 — CID 16746613

IUPACethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N(CC)CC)cc1
InChIInChI=1S/C18H22N4O4/c1-4-22(5-2)17(24)15-14(19-11-20-15)16(23)21-13-9-7-12(8-10-13)18(25)26-6-3/h7-11H,4-6H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyFQJQDINQCOCCML-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.32
Rot. Bonds7

About ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate

ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate (PubChem CID 16746613) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate
PubChem CID16746613
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Nameethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N(CC)CC)cc1
InChIInChI=1S/C18H22N4O4/c1-4-22(5-2)17(24)15-14(19-11-20-15)16(23)21-13-9-7-12(8-10-13)18(25)26-6-3/h7-11H,4-6H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyFQJQDINQCOCCML-UHFFFAOYSA-N
XLogP2.32
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
CID 46904173
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
methyl 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118419349
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate (CID 16746613) is ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C(=O)N(CC)CC)cc1.
What is the InChIKey of ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate?
The InChIKey is FQJQDINQCOCCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-4-22(5-2)17(24)15-14(19-11-20-15)16(23)21-13-9-7-12(8-10-13)18(25)26-6-3/h7-11H,4-6H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate?
ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate has a molecular weight of 358.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 16746613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).