ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate

C21H21FN2O3 — CID 67297106

IUPACethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(OCC)c2)c(-c2ccc(C)cc2F)n1
InChIInChI=1S/C21H21FN2O3/c1-4-26-16-8-6-7-15(12-16)24-13-19(21(25)27-5-2)23-20(24)17-10-9-14(3)11-18(17)22/h6-13H,4-5H2,1-3H3
InChIKeyNJRSAFSSTZDESA-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.56
Rot. Bonds6

About ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate

ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate (PubChem CID 67297106) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate
PubChem CID67297106
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Nameethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccc(OCC)c2)c(-c2ccc(C)cc2F)n1
InChIInChI=1S/C21H21FN2O3/c1-4-26-16-8-6-7-15(12-16)24-13-19(21(25)27-5-2)23-20(24)17-10-9-14(3)11-18(17)22/h6-13H,4-5H2,1-3H3
InChIKeyNJRSAFSSTZDESA-UHFFFAOYSA-N
XLogP4.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate
CID 67032137
ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
CID 11463589
4-[2-[2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)imidazole-4-carbonyl]piperazin-1-yl]naphthalene-1-carboxylic acid
CID 151780063
ethyl 1-phenyl-2-(trifluoromethyl)imidazole-4-carboxylate
CID 170628931
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
ethyl 2-(2-fluoro-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526312
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl (2S)-2-cyclopropyl-5-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134396473
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 67338384
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
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
CID 159776110
3-(3-ethoxyphenyl)triazole-4-carboxylic acid
CID 54967751

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate (CID 67297106) is ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2cccc(OCC)c2)c(-c2ccc(C)cc2F)n1.
What is the InChIKey of ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate?
The InChIKey is NJRSAFSSTZDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-4-26-16-8-6-7-15(12-16)24-13-19(21(25)27-5-2)23-20(24)17-10-9-14(3)11-18(17)22/h6-13H,4-5H2,1-3H3.
What are the key properties of ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate?
ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 67297106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).