ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate

C14H15N3O4 — CID 961105

IUPACethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H15N3O4/c1-3-21-14(19)12-11(15-8-16-12)13(18)17-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHEPGIRTXZLMETG-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.85
Rot. Bonds5

About ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate

ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 961105) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID961105
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Nameethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H15N3O4/c1-3-21-14(19)12-11(15-8-16-12)13(18)17-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHEPGIRTXZLMETG-UHFFFAOYSA-N
XLogP1.85
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(phenylcarbamoyl)-1H-imidazole-4-carboxylate
CID 564878
ethyl 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 959599
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
N4,N5-Bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 3244252
N-(3-methoxyphenyl)-1H-imidazole-4-carboxamide
CID 5299203
N~4~-(2-methoxyphenyl)-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
CID 851155
Ilp-IV-22
CID 16746606
Ilp-IV-21
CID 16746631
ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 961104
N~4~-(4-methoxyphenyl)-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
CID 851157

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate (CID 961105) is ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is HEPGIRTXZLMETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-21-14(19)12-11(15-8-16-12)13(18)17-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 961105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).