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

C16H14F4N4 — CID 141054643

IUPAC2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole
SMILESCCc1nccn1Cc1cn(-c2cc(F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H14F4N4/c1-2-15-21-3-4-23(15)8-13-9-24(10-22-13)14-6-11(16(18,19)20)5-12(17)7-14/h3-7,9-10H,2,8H2,1H3
InChIKeyCYHQVKYNNBNSPY-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.84
Rot. Bonds4

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

2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole (PubChem CID 141054643) has the molecular formula C16H14F4N4 and a molecular weight of 338.31 g/mol. Its IUPAC name is 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole
PubChem CID141054643
Molecular FormulaC16H14F4N4
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole
SMILESCCc1nccn1Cc1cn(-c2cc(F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C16H14F4N4/c1-2-15-21-3-4-23(15)8-13-9-24(10-22-13)14-6-11(16(18,19)20)5-12(17)7-14/h3-7,9-10H,2,8H2,1H3
InChIKeyCYHQVKYNNBNSPY-UHFFFAOYSA-N
XLogP3.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole?
The IUPAC name of 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole (CID 141054643) is 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole?
The canonical SMILES for 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole is CCc1nccn1Cc1cn(-c2cc(F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole?
The InChIKey is CYHQVKYNNBNSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4/c1-2-15-21-3-4-23(15)8-13-9-24(10-22-13)14-6-11(16(18,19)20)5-12(17)7-14/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole?
2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole has a molecular weight of 338.31 g/mol, XLogP of 3.84, 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-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole is sourced from PubChem (CID 141054643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).