ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate

C14H15N3O4 — CID 961104

IUPACethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H15N3O4/c1-3-21-14(19)12-11(15-8-16-12)13(18)17-9-6-4-5-7-10(9)20-2/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMQKVIZGUASIILQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.85
Rot. Bonds5

About ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate

ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 961104) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID961104
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Nameethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H15N3O4/c1-3-21-14(19)12-11(15-8-16-12)13(18)17-9-6-4-5-7-10(9)20-2/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyMQKVIZGUASIILQ-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

Analyze ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate (CID 961104) is ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC.
What is the InChIKey of ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is MQKVIZGUASIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-21-14(19)12-11(15-8-16-12)13(18)17-9-6-4-5-7-10(9)20-2/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of ethyl 4-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
ethyl 4-[(2-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-[(2-methoxyphenyl)carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 961104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).