3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole

C25H22N2O — CID 57018326

IUPAC3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
SMILESc1ccc(COc2ccc3[nH]cc(CCn4cc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C25H22N2O/c1-2-6-19(7-3-1)18-28-23-10-11-25-24(14-23)20(15-26-25)12-13-27-16-21-8-4-5-9-22(21)17-27/h1-11,14-17,26H,12-13,18H2
InChIKeyBNYKETUGCJUAFO-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.94
Rot. Bonds6

About 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole

3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole (PubChem CID 57018326) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
PubChem CID57018326
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
SMILESc1ccc(COc2ccc3[nH]cc(CCn4cc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C25H22N2O/c1-2-6-19(7-3-1)18-28-23-10-11-25-24(14-23)20(15-26-25)12-13-27-16-21-8-4-5-9-22(21)17-27/h1-11,14-17,26H,12-13,18H2
InChIKeyBNYKETUGCJUAFO-UHFFFAOYSA-N
XLogP5.94
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine
CID 23967992
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
1-[1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 15572651
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
CID 70697319

Frequently Asked Questions

What is the IUPAC name of 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole?
The IUPAC name of 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole (CID 57018326) is 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole?
The canonical SMILES for 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole is c1ccc(COc2ccc3[nH]cc(CCn4cc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole?
The InChIKey is BNYKETUGCJUAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-2-6-19(7-3-1)18-28-23-10-11-25-24(14-23)20(15-26-25)12-13-27-16-21-8-4-5-9-22(21)17-27/h1-11,14-17,26H,12-13,18H2.
What are the key properties of 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole?
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole has a molecular weight of 366.46 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole is sourced from PubChem (CID 57018326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).