1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole

C22H16F3NO — CID 22032903

IUPAC1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(ccn3Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)27-20-9-6-17(7-10-20)18-8-11-21-19(14-18)12-13-26(21)15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeySESJOFYZGUGMJB-UHFFFAOYSA-N
MW367.37 g/mol
LogP6.26
Rot. Bonds4

About 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole

1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole (PubChem CID 22032903) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole.

Molecular Properties

Compound Name1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole
PubChem CID22032903
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(ccn3Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)27-20-9-6-17(7-10-20)18-8-11-21-19(14-18)12-13-26(21)15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeySESJOFYZGUGMJB-UHFFFAOYSA-N
XLogP6.26
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole 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 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole?
The IUPAC name of 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole (CID 22032903) is 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole.
What is the SMILES notation for 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole?
The canonical SMILES for 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole is FC(F)(F)Oc1ccc(-c2ccc3c(ccn3Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole?
The InChIKey is SESJOFYZGUGMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO/c23-22(24,25)27-20-9-6-17(7-10-20)18-8-11-21-19(14-18)12-13-26(21)15-16-4-2-1-3-5-16/h1-14H,15H2.
What are the key properties of 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole?
1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole has a molecular weight of 367.37 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[4-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 22032903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).