ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate

C19H23F3N2O2 — CID 142503583

IUPACethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)C)n(Cc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C19H23F3N2O2/c1-6-26-16(25)15-12(2)24(17(23-15)18(3,4)5)11-13-9-7-8-10-14(13)19(20,21)22/h7-10H,6,11H2,1-5H3
InChIKeyDZSSMHPRUSCWNQ-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.73
Rot. Bonds4

About ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate

ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate (PubChem CID 142503583) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
PubChem CID142503583
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Nameethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)C)n(Cc2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C19H23F3N2O2/c1-6-26-16(25)15-12(2)24(17(23-15)18(3,4)5)11-13-9-7-8-10-14(13)19(20,21)22/h7-10H,6,11H2,1-5H3
InChIKeyDZSSMHPRUSCWNQ-UHFFFAOYSA-N
XLogP4.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2-tert-butyl-5-methylimidazole-4-carboxylate
CID 142503425
ethyl 5-methyl-2-piperidin-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
CID 142503474
ethyl 2-(cyclohexen-1-yl)-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate
CID 142503443
2-tert-butyl-1-[[3-[hydroxy(dimethyl)silyl]-2-(trifluoromethyl)phenyl]methyl]-5-methylimidazole-4-carboxylic acid
CID 142503556
3-tert-butyl-5-chloro-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 63385440
ethyl 5-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 116526140
ethyl 4-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate
CID 71071577
2-tert-butyl-5-methyl-1-[[3-(1H-pyrazol-5-yl)-2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 142503604
ethyl 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
ethyl 1-methyl-3-[2-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934970
2-tert-butyl-1-[[3-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-2-(trifluoromethyl)phenyl]methyl]-5-methylimidazole-4-carboxylic acid
CID 142503483
ethyl 2-(2-oxopropyl)-6-(trifluoromethyl)benzoate
CID 134640898

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate (CID 142503583) is ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate is CCOC(=O)c1nc(C(C)(C)C)n(Cc2ccccc2C(F)(F)F)c1C.
What is the InChIKey of ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
The InChIKey is DZSSMHPRUSCWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-6-26-16(25)15-12(2)24(17(23-15)18(3,4)5)11-13-9-7-8-10-14(13)19(20,21)22/h7-10H,6,11H2,1-5H3.
What are the key properties of ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate?
ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate has a molecular weight of 368.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 142503583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).