5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole

C26H24N2 — CID 143783411

IUPAC5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
SMILESC=C1c2cc(-c3ccc(CC)cc3)ccc2CN1c1ccc2c(ccn2C)c1
InChIInChI=1S/C26H24N2/c1-4-19-5-7-20(8-6-19)21-9-10-23-17-28(18(2)25(23)16-21)24-11-12-26-22(15-24)13-14-27(26)3/h5-16H,2,4,17H2,1,3H3
InChIKeyFFOHDLZIFPDXDA-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.40
Rot. Bonds3

About 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole

5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole (PubChem CID 143783411) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
PubChem CID143783411
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
SMILESC=C1c2cc(-c3ccc(CC)cc3)ccc2CN1c1ccc2c(ccn2C)c1
InChIInChI=1S/C26H24N2/c1-4-19-5-7-20(8-6-19)21-9-10-23-17-28(18(2)25(23)16-21)24-11-12-26-22(15-24)13-14-27(26)3/h5-16H,2,4,17H2,1,3H3
InChIKeyFFOHDLZIFPDXDA-UHFFFAOYSA-N
XLogP6.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
CID 143783539
6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 89191024
6-amino-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543176
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole
CID 89191170
N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine
CID 143783329
1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen
CID 143783414
2-(1-methylindol-6-yl)-6-pyrimidin-5-yl-3H-isoindol-1-one
CID 59543234
5-bromo-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543372
4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole
CID 89191013
2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole
CID 143783350
1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole
CID 143783352

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The IUPAC name of 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole (CID 143783411) is 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole.
What is the SMILES notation for 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The canonical SMILES for 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole is C=C1c2cc(-c3ccc(CC)cc3)ccc2CN1c1ccc2c(ccn2C)c1.
What is the InChIKey of 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The InChIKey is FFOHDLZIFPDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-4-19-5-7-20(8-6-19)21-9-10-23-17-28(18(2)25(23)16-21)24-11-12-26-22(15-24)13-14-27(26)3/h5-16H,2,4,17H2,1,3H3.
What are the key properties of 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole has a molecular weight of 364.49 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole is sourced from PubChem (CID 143783411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).