1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole

C16H18F3N3 — CID 141422409

IUPAC1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole
SMILESCN1CC(C)(C)c2ccc(-c3cn(CC(F)(F)F)cn3)cc21
InChIInChI=1S/C16H18F3N3/c1-15(2)8-21(3)14-6-11(4-5-12(14)15)13-7-22(10-20-13)9-16(17,18)19/h4-7,10H,8-9H2,1-3H3
InChIKeyRECAXTWKJWZMGQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.84
Rot. Bonds2

About 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole

1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole (PubChem CID 141422409) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole
PubChem CID141422409
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole
SMILESCN1CC(C)(C)c2ccc(-c3cn(CC(F)(F)F)cn3)cc21
InChIInChI=1S/C16H18F3N3/c1-15(2)8-21(3)14-6-11(4-5-12(14)15)13-7-22(10-20-13)9-16(17,18)19/h4-7,10H,8-9H2,1-3H3
InChIKeyRECAXTWKJWZMGQ-UHFFFAOYSA-N
XLogP3.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole?
The IUPAC name of 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole (CID 141422409) is 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole.
What is the SMILES notation for 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole?
The canonical SMILES for 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole is CN1CC(C)(C)c2ccc(-c3cn(CC(F)(F)F)cn3)cc21.
What is the InChIKey of 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole?
The InChIKey is RECAXTWKJWZMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-15(2)8-21(3)14-6-11(4-5-12(14)15)13-7-22(10-20-13)9-16(17,18)19/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole?
1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole has a molecular weight of 309.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]-2H-indole is sourced from PubChem (CID 141422409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).