2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride

C16H16ClF3N4O — CID 141054873

IUPAC2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2cccc(OC(F)(F)F)c2)cn1.Cl
InChIInChI=1S/C16H15F3N4O.ClH/c1-2-15-20-6-7-22(15)9-12-10-23(11-21-12)13-4-3-5-14(8-13)24-16(17,18)19;/h3-8,10-11H,2,9H2,1H3;1H
InChIKeyBOXAFFPUWUQNFI-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.00
Rot. Bonds5

About 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride

2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride (PubChem CID 141054873) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
PubChem CID141054873
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC Name2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2cccc(OC(F)(F)F)c2)cn1.Cl
InChIInChI=1S/C16H15F3N4O.ClH/c1-2-15-20-6-7-22(15)9-12-10-23(11-21-12)13-4-3-5-14(8-13)24-16(17,18)19;/h3-8,10-11H,2,9H2,1H3;1H
InChIKeyBOXAFFPUWUQNFI-UHFFFAOYSA-N
XLogP4.00
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
CID 141054639
2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride
CID 141054622
1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 159616253
2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole
CID 141054643
1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 160655070
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
3-bromo-1-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 155581393
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-yl]methanamine
CID 62221603
2-ethyl-4-(trifluoromethoxy)pyridine
CID 166104066
2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
CID 70285773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
The IUPAC name of 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride (CID 141054873) is 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride.
What is the SMILES notation for 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
The canonical SMILES for 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride is CCc1nccn1Cc1cn(-c2cccc(OC(F)(F)F)c2)cn1.Cl.
What is the InChIKey of 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
The InChIKey is BOXAFFPUWUQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O.ClH/c1-2-15-20-6-7-22(15)9-12-10-23(11-21-12)13-4-3-5-14(8-13)24-16(17,18)19;/h3-8,10-11H,2,9H2,1H3;1H.
What are the key properties of 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride has a molecular weight of 372.78 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride is sourced from PubChem (CID 141054873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).