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

C17H13F3N2O — CID 136996538

IUPAC5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/C=N/c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C17H13F3N2O/c1-10-5-6-15-13(7-10)14(16(23)22-15)9-21-12-4-2-3-11(8-12)17(18,19)20/h2-9,22-23H,1H3/b21-9+
InChIKeyACYOOMAGENBLSK-ZVBGSRNCSA-N
MW318.30 g/mol
LogP4.95
Rot. Bonds2

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

5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 136996538) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID136996538
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/C=N/c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C17H13F3N2O/c1-10-5-6-15-13(7-10)14(16(23)22-15)9-21-12-4-2-3-11(8-12)17(18,19)20/h2-9,22-23H,1H3/b21-9+
InChIKeyACYOOMAGENBLSK-ZVBGSRNCSA-N
XLogP4.95
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
6-hydroxy-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrimidin-4-one
CID 872788
3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135604974
5-methyl-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
CID 1485847
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
CID 136996443
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
1-(5-methylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 964575
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol (CID 136996538) is 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(/C=N/c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is ACYOOMAGENBLSK-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-5-6-15-13(7-10)14(16(23)22-15)9-21-12-4-2-3-11(8-12)17(18,19)20/h2-9,22-23H,1H3/b21-9+.
What are the key properties of 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol?
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 318.30 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136996538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).