ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate

C12H11FN2O2 — CID 154672757

IUPACethyl 1-(4-fluorophenyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c1-2-17-12(16)11-14-7-8-15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3
InChIKeyVXQRLFVSXKARRN-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.19
Rot. Bonds3

About ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate

ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate (PubChem CID 154672757) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)imidazole-2-carboxylate
PubChem CID154672757
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Nameethyl 1-(4-fluorophenyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2/c1-2-17-12(16)11-14-7-8-15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3
InChIKeyVXQRLFVSXKARRN-UHFFFAOYSA-N
XLogP2.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate (CID 154672757) is ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate is CCOC(=O)c1nccn1-c1ccc(F)cc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate?
The InChIKey is VXQRLFVSXKARRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-17-12(16)11-14-7-8-15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate?
ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate has a molecular weight of 234.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)imidazole-2-carboxylate is sourced from PubChem (CID 154672757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).