3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol

C22H17F3N2O — CID 162578409

IUPAC3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol
SMILESCc1ccc(C(F)(F)F)cc1/N=C1\c2ccccc2N(c2ccccc2)C1O
InChIInChI=1S/C22H17F3N2O/c1-14-11-12-15(22(23,24)25)13-18(14)26-20-17-9-5-6-10-19(17)27(21(20)28)16-7-3-2-4-8-16/h2-13,21,28H,1H3/b26-20+
InChIKeyJPXBUSKWKZKRAQ-LHLOQNFPSA-N
MW382.39 g/mol
LogP5.60
Rot. Bonds2

About 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol

3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol (PubChem CID 162578409) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol.

Molecular Properties

Compound Name3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol
PubChem CID162578409
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol
SMILESCc1ccc(C(F)(F)F)cc1/N=C1\c2ccccc2N(c2ccccc2)C1O
InChIInChI=1S/C22H17F3N2O/c1-14-11-12-15(22(23,24)25)13-18(14)26-20-17-9-5-6-10-19(17)27(21(20)28)16-7-3-2-4-8-16/h2-13,21,28H,1H3/b26-20+
InChIKeyJPXBUSKWKZKRAQ-LHLOQNFPSA-N
XLogP5.60
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol?
The IUPAC name of 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol (CID 162578409) is 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol.
What is the SMILES notation for 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol?
The canonical SMILES for 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol is Cc1ccc(C(F)(F)F)cc1/N=C1\c2ccccc2N(c2ccccc2)C1O.
What is the InChIKey of 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol?
The InChIKey is JPXBUSKWKZKRAQ-LHLOQNFPSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-14-11-12-15(22(23,24)25)13-18(14)26-20-17-9-5-6-10-19(17)27(21(20)28)16-7-3-2-4-8-16/h2-13,21,28H,1H3/b26-20+.
What are the key properties of 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol?
3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol has a molecular weight of 382.39 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(trifluoromethyl)phenyl]imino-1-phenyl-2H-indol-2-ol is sourced from PubChem (CID 162578409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).