ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate

C18H14ClFN2O2 — CID 67032137

IUPACethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2F)n1
InChIInChI=1S/C18H14ClFN2O2/c1-2-24-18(23)16-11-22(13-7-5-6-12(19)10-13)17(21-16)14-8-3-4-9-15(14)20/h3-11H,2H2,1H3
InChIKeyKMEFPYNRORKMPS-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.51
Rot. Bonds4

About ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate

ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate (PubChem CID 67032137) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate
PubChem CID67032137
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Nameethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2F)n1
InChIInChI=1S/C18H14ClFN2O2/c1-2-24-18(23)16-11-22(13-7-5-6-12(19)10-13)17(21-16)14-8-3-4-9-15(14)20/h3-11H,2H2,1H3
InChIKeyKMEFPYNRORKMPS-UHFFFAOYSA-N
XLogP4.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
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ethyl 6-chloro-5-fluoropyridine-2-carboxylate
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ethyl 1-(4-bromo-2-fluorophenyl)-2-[2-(2,6-dichlorophenyl)propan-2-yl]imidazole-4-carboxylate
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ethyl 2-(3,5-dichlorophenyl)-6-fluorobenzoate
CID 134623708
ethyl 5-(2,3-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylate
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ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
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ethyl 1-(3-chlorophenyl)-1,2,4-triazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate (CID 67032137) is ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2F)n1.
What is the InChIKey of ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is KMEFPYNRORKMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-2-24-18(23)16-11-22(13-7-5-6-12(19)10-13)17(21-16)14-8-3-4-9-15(14)20/h3-11H,2H2,1H3.
What are the key properties of ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate?
ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 344.77 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 67032137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).