3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole

C26H29N4+ — CID 171342887

IUPAC3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole
SMILESCc1c(C)[n+](CCc2c[nH]c3ccccc23)c(C)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C26H29N4/c1-18-19(2)30(15-13-22-17-28-26-11-7-5-9-24(22)26)20(3)29(18)14-12-21-16-27-25-10-6-4-8-23(21)25/h4-11,16-17,27-28H,12-15H2,1-3H3/q+1
InChIKeyIGUSZHRTILFIOL-UHFFFAOYSA-N
MW397.55 g/mol
LogP5.15
Rot. Bonds6

About 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole

3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole (PubChem CID 171342887) has the molecular formula C26H29N4+ and a molecular weight of 397.55 g/mol. Its IUPAC name is 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole
PubChem CID171342887
Molecular FormulaC26H29N4+
Molecular Weight397.55 g/mol
Exact Mass397.24
IUPAC Name3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole
SMILESCc1c(C)[n+](CCc2c[nH]c3ccccc23)c(C)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C26H29N4/c1-18-19(2)30(15-13-22-17-28-26-11-7-5-9-24(22)26)20(3)29(18)14-12-21-16-27-25-10-6-4-8-23(21)25/h4-11,16-17,27-28H,12-15H2,1-3H3/q+1
InChIKeyIGUSZHRTILFIOL-UHFFFAOYSA-N
XLogP5.15
TPSA40.39 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole (CID 171342887) is 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole is Cc1c(C)[n+](CCc2c[nH]c3ccccc23)c(C)n1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole?
The InChIKey is IGUSZHRTILFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N4/c1-18-19(2)30(15-13-22-17-28-26-11-7-5-9-24(22)26)20(3)29(18)14-12-21-16-27-25-10-6-4-8-23(21)25/h4-11,16-17,27-28H,12-15H2,1-3H3/q+1.
What are the key properties of 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole?
3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole has a molecular weight of 397.55 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylimidazol-1-ium-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 171342887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).