2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole

C13H13F3N2 — CID 63811781

IUPAC2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESCCc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2/c1-2-12-17-6-7-18(12)9-10-4-3-5-11(8-10)13(14,15)16/h3-8H,2,9H2,1H3
InChIKeyUJSOORXDNNUCOU-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.51
Rot. Bonds3

About 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole

2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 63811781) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID63811781
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESCCc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2/c1-2-12-17-6-7-18(12)9-10-4-3-5-11(8-10)13(14,15)16/h3-8H,2,9H2,1H3
InChIKeyUJSOORXDNNUCOU-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole
CID 56741267
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935
3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
CID 42819947
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267887
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855
4-[(2-ethylimidazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62465996
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995
1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 11949842
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole (CID 63811781) is 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole is CCc1nccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is UJSOORXDNNUCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-2-12-17-6-7-18(12)9-10-4-3-5-11(8-10)13(14,15)16/h3-8H,2,9H2,1H3.
What are the key properties of 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 254.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 63811781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).