3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol

C20H19N3O — CID 136935313

IUPAC3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-19-9-5-3-7-16(19)17(20(23)24)13-21-11-10-14-12-22-18-8-4-2-6-15(14)18/h2-9,12-13,22,24H,10-11H2,1H3/b21-13+
InChIKeyWMJKZWBUSULWOB-FYJGNVAPSA-N
MW317.39 g/mol
LogP4.03
Rot. Bonds4

About 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol

3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol (PubChem CID 136935313) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
PubChem CID136935313
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/CCc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C20H19N3O/c1-23-19-9-5-3-7-16(19)17(20(23)24)13-21-11-10-14-12-22-18-8-4-2-6-15(14)18/h2-9,12-13,22,24H,10-11H2,1H3/b21-13+
InChIKeyWMJKZWBUSULWOB-FYJGNVAPSA-N
XLogP4.03
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657988
4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one
CID 135638614
1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
CID 136935292
2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
CID 135581382
6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 171982490
1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine
CID 24893865
N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
CID 10826340
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(cycloheptyliminomethyl)-1-methylindol-2-ol
CID 136935322
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol (CID 136935313) is 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol is Cn1c(O)c(/C=N/CCc2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol?
The InChIKey is WMJKZWBUSULWOB-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23-19-9-5-3-7-16(19)17(20(23)24)13-21-11-10-14-12-22-18-8-4-2-6-15(14)18/h2-9,12-13,22,24H,10-11H2,1H3/b21-13+.
What are the key properties of 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol?
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol has a molecular weight of 317.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol is sourced from PubChem (CID 136935313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).