5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole

C23H26N2 — CID 143783539

IUPAC5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
SMILESC=C1c2cc(CC)ccc2CN1c1ccc2c(c1)cc(CCC)n2C
InChIInChI=1S/C23H26N2/c1-5-7-20-13-19-14-21(10-11-23(19)24(20)4)25-15-18-9-8-17(6-2)12-22(18)16(25)3/h8-14H,3,5-7,15H2,1-2,4H3
InChIKeyBAUZLCRMVHBELP-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.68
Rot. Bonds4

About 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole

5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole (PubChem CID 143783539) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole.

Molecular Properties

Compound Name5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
PubChem CID143783539
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
SMILESC=C1c2cc(CC)ccc2CN1c1ccc2c(c1)cc(CCC)n2C
InChIInChI=1S/C23H26N2/c1-5-7-20-13-19-14-21(10-11-23(19)24(20)4)25-15-18-9-8-17(6-2)12-22(18)16(25)3/h8-14H,3,5-7,15H2,1-2,4H3
InChIKeyBAUZLCRMVHBELP-UHFFFAOYSA-N
XLogP5.68
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 143783411
1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen
CID 143783414
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
2-(1,2-dimethylindol-5-yl)-6-(2-methylpropyl)-3H-isoindol-1-one
CID 59543278
6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
CID 59543279
1-methyl-2-propylindole
CID 13170349
2-(1H-indol-6-yl)-3-methylidene-5-(2-methylpropyl)-1H-isoindole
CID 89191157
2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole
CID 143783350
5-ethyl-1-methyl-2-(trifluoromethyl)indole
CID 84625236
2,6-diethyl-1-methylindole
CID 118283612
1-methyl-2-pentylindol-5-amine
CID 150191392

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole?
The IUPAC name of 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole (CID 143783539) is 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole.
What is the SMILES notation for 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole?
The canonical SMILES for 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole is C=C1c2cc(CC)ccc2CN1c1ccc2c(c1)cc(CCC)n2C.
What is the InChIKey of 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole?
The InChIKey is BAUZLCRMVHBELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-5-7-20-13-19-14-21(10-11-23(19)24(20)4)25-15-18-9-8-17(6-2)12-22(18)16(25)3/h8-14H,3,5-7,15H2,1-2,4H3.
What are the key properties of 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole?
5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole has a molecular weight of 330.48 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole is sourced from PubChem (CID 143783539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).