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

C17H18ClF3N4 — CID 141054639

IUPAC2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(C)c(C(F)(F)F)c2)cn1.Cl
InChIInChI=1S/C17H17F3N4.ClH/c1-3-16-21-6-7-23(16)9-13-10-24(11-22-13)14-5-4-12(2)15(8-14)17(18,19)20;/h4-8,10-11H,3,9H2,1-2H3;1H
InChIKeyTZYVEEZIHVNOQA-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.43
Rot. Bonds4

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

2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride (PubChem CID 141054639) has the molecular formula C17H18ClF3N4 and a molecular weight of 370.81 g/mol. Its IUPAC name is 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
PubChem CID141054639
Molecular FormulaC17H18ClF3N4
Molecular Weight370.81 g/mol
Exact Mass370.12
IUPAC Name2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(C)c(C(F)(F)F)c2)cn1.Cl
InChIInChI=1S/C17H17F3N4.ClH/c1-3-16-21-6-7-23(16)9-13-10-24(11-22-13)14-5-4-12(2)15(8-14)17(18,19)20;/h4-8,10-11H,3,9H2,1-2H3;1H
InChIKeyTZYVEEZIHVNOQA-UHFFFAOYSA-N
XLogP4.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 159616253
2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
CID 141054873
2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride
CID 141054622
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
1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 141054724
2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]imidazole
CID 143518831
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
ethane;1-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 143518780
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
CID 107086151
4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
CID 141054781
[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 55029966

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
The IUPAC name of 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride (CID 141054639) is 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride.
What is the SMILES notation for 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
The canonical SMILES for 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride is CCc1nccn1Cc1cn(-c2ccc(C)c(C(F)(F)F)c2)cn1.Cl.
What is the InChIKey of 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
The InChIKey is TZYVEEZIHVNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4.ClH/c1-3-16-21-6-7-23(16)9-13-10-24(11-22-13)14-5-4-12(2)15(8-14)17(18,19)20;/h4-8,10-11H,3,9H2,1-2H3;1H.
What are the key properties of 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride?
2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride has a molecular weight of 370.81 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride is sourced from PubChem (CID 141054639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).