ethyl 1-phenylimidazole-4-carboxylate

C12H12N2O2 — CID 11469974

IUPACethyl 1-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14(9-13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyHNLVMOBDGJNNJY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.05
Rot. Bonds3

About ethyl 1-phenylimidazole-4-carboxylate

ethyl 1-phenylimidazole-4-carboxylate (PubChem CID 11469974) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 1-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenylimidazole-4-carboxylate
PubChem CID11469974
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl 1-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14(9-13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyHNLVMOBDGJNNJY-UHFFFAOYSA-N
XLogP2.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etomidate
CID 667484
Ethnor
CID 36339
Metomidate
CID 21474
Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
CID 118264
1H-Imidazole-5-carboxylic acid, 1-((1S)-1-phenylethyl)-, ethyl ester
CID 6338045
Propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
CID 65591
Iodometomidate i-123, R-
CID 11660398
Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate
CID 96879
Ethyl 5-Amino-1-benzyl-1H-imidazole-4-carboxylate
CID 2815691
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
[3H]azietomidate
CID 9971904
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-phenylimidazole-4-carboxylate (CID 11469974) is ethyl 1-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenylimidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccccc2)cn1.
What is the InChIKey of ethyl 1-phenylimidazole-4-carboxylate?
The InChIKey is HNLVMOBDGJNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14(9-13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 1-phenylimidazole-4-carboxylate?
ethyl 1-phenylimidazole-4-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenylimidazole-4-carboxylate is sourced from PubChem (CID 11469974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).