ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate

C14H15N3O3 — CID 572237

IUPACethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NCc1ccccc1
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)12-11(16-9-17-12)13(18)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQWGMBIBRDHIPPE-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.52
Rot. Bonds5

About ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate

ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate (PubChem CID 572237) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate
PubChem CID572237
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NCc1ccccc1
InChIInChI=1S/C14H15N3O3/c1-2-20-14(19)12-11(16-9-17-12)13(18)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQWGMBIBRDHIPPE-UHFFFAOYSA-N
XLogP1.52
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-Amino-1-benzyl-1H-imidazole-4-carboxylate
CID 2815691
Ilp-IV-15
CID 16746610
ethyl 5-(phenylcarbamoyl)-1H-imidazole-4-carboxylate
CID 564878
ethyl 4-[(4-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 597462
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
ethyl 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 959599
ethyl 5,6-dihydro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 21764316
4-[(2-Amino-2-Oxoethyl)(Methyl)carbamoyl]-2-Phenyl-1h-Imidazole-5-Carboxylic Acid
CID 49835940
Methyl 5-benzoyl-1h-imidazole-4-carboxylate
CID 555682
5-(6-Amino-pyridin-2-ylcarbamoyl)-3H-imidazole-4-carboxylic acid, ethyl ester
CID 2362837
Ilp-III-3
CID 24793486
ethyl 4-{[(2-methylphenyl)amino]carbonyl}-1H-imidazole-5-carboxylate
CID 572364

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate (CID 572237) is ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)NCc1ccccc1.
What is the InChIKey of ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate?
The InChIKey is QWGMBIBRDHIPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-14(19)12-11(16-9-17-12)13(18)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate?
ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 572237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).