ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate

C12H11FN2O2 — CID 116883535

IUPACethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-2-17-12(16)11-14-7-10(15-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyMRDDTYCBDFOUBL-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.39
Rot. Bonds3

About ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate

ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate (PubChem CID 116883535) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
PubChem CID116883535
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Nameethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-2-17-12(16)11-14-7-10(15-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyMRDDTYCBDFOUBL-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-[4-[[4-(2-fluorophenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole-2-carboxylate
CID 68963493
ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 141297667
5-(2-fluorophenyl)-2-methoxy-1H-imidazole
CID 116883763
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116880373
ethyl 5-(1H-pyrrol-2-ylmethyl)-1H-imidazole-2-carboxylate
CID 57211071
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878816
ethyl 5-(3-oxo-1,2-dihydroinden-2-yl)-1H-imidazole-2-carboxylate
CID 140984035
3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
CID 178183717
ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 121205182
5-(4-ethoxycarbonylphenyl)-1H-imidazole-2-carboxylic acid
CID 174389731
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate?
The IUPAC name of ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate (CID 116883535) is ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate is CCOC(=O)c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate?
The InChIKey is MRDDTYCBDFOUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-17-12(16)11-14-7-10(15-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate?
ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate has a molecular weight of 234.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 116883535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).