2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole

C17H17F3N4 — CID 56741267

IUPAC2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole
SMILESCCc1nc(-c2nccn2Cc2cccc(C(F)(F)F)c2)c(C)[nH]1
InChIInChI=1S/C17H17F3N4/c1-3-14-22-11(2)15(23-14)16-21-7-8-24(16)10-12-5-4-6-13(9-12)17(18,19)20/h4-9H,3,10H2,1-2H3,(H,22,23)
InChIKeyLZJLSLMTQXKPRJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.21
Rot. Bonds4

About 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole

2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole (PubChem CID 56741267) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole
PubChem CID56741267
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole
SMILESCCc1nc(-c2nccn2Cc2cccc(C(F)(F)F)c2)c(C)[nH]1
InChIInChI=1S/C17H17F3N4/c1-3-14-22-11(2)15(23-14)16-21-7-8-24(16)10-12-5-4-6-13(9-12)17(18,19)20/h4-9H,3,10H2,1-2H3,(H,22,23)
InChIKeyLZJLSLMTQXKPRJ-UHFFFAOYSA-N
XLogP4.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
CID 155942479
4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 74244860
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
CID 79107382
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
trimethyl-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]silane
CID 141355979
3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725503

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole (CID 56741267) is 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole is CCc1nc(-c2nccn2Cc2cccc(C(F)(F)F)c2)c(C)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole?
The InChIKey is LZJLSLMTQXKPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-3-14-22-11(2)15(23-14)16-21-7-8-24(16)10-12-5-4-6-13(9-12)17(18,19)20/h4-9H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole?
2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole has a molecular weight of 334.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 56741267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).