2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate

C14H14ClFN2O2 — CID 171390277

IUPAC2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccc(Cl)cc1)n1cncc1C(=O)OCC[18F]
InChIInChI=1S/C14H14ClFN2O2/c1-10(11-2-4-12(15)5-3-11)18-9-17-8-13(18)14(19)20-7-6-16/h2-5,8-10H,6-7H2,1H3/t10-/m1/s1/i16-1
InChIKeyLLQSQLUUPNLKRG-CNVZLFMUSA-N
MW295.73 g/mol
LogP3.27
Rot. Bonds5

About 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate

2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate (PubChem CID 171390277) has the molecular formula C14H14ClFN2O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate
PubChem CID171390277
Molecular FormulaC14H14ClFN2O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccc(Cl)cc1)n1cncc1C(=O)OCC[18F]
InChIInChI=1S/C14H14ClFN2O2/c1-10(11-2-4-12(15)5-3-11)18-9-17-8-13(18)14(19)20-7-6-16/h2-5,8-10H,6-7H2,1H3/t10-/m1/s1/i16-1
InChIKeyLLQSQLUUPNLKRG-CNVZLFMUSA-N
XLogP3.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate?
The IUPAC name of 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate (CID 171390277) is 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate is C[C@H](c1ccc(Cl)cc1)n1cncc1C(=O)OCC[18F].
What is the InChIKey of 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate?
The InChIKey is LLQSQLUUPNLKRG-CNVZLFMUSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-10(11-2-4-12(15)5-3-11)18-9-17-8-13(18)14(19)20-7-6-16/h2-5,8-10H,6-7H2,1H3/t10-/m1/s1/i16-1.
What are the key properties of 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate?
2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate has a molecular weight of 295.73 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(18F)fluoroethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 171390277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).