3-[4-(1H-indol-3-yl)butyl]-1H-indole

C20H20N2 — CID 57060044

IUPAC3-[4-(1H-indol-3-yl)butyl]-1H-indole
SMILESc1ccc2c(CCCCc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C20H20N2/c1(7-15-13-21-19-11-5-3-9-17(15)19)2-8-16-14-22-20-12-6-4-10-18(16)20/h3-6,9-14,21-22H,1-2,7-8H2
InChIKeyLLOQZVWRLWIVQN-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.21
Rot. Bonds5

About 3-[4-(1H-indol-3-yl)butyl]-1H-indole

3-[4-(1H-indol-3-yl)butyl]-1H-indole (PubChem CID 57060044) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-yl)butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-(1H-indol-3-yl)butyl]-1H-indole
PubChem CID57060044
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-[4-(1H-indol-3-yl)butyl]-1H-indole
SMILESc1ccc2c(CCCCc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C20H20N2/c1(7-15-13-21-19-11-5-3-9-17(15)19)2-8-16-14-22-20-12-6-4-10-18(16)20/h3-6,9-14,21-22H,1-2,7-8H2
InChIKeyLLOQZVWRLWIVQN-UHFFFAOYSA-N
XLogP5.21
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-[4-(1H-indol-3-yl)butyl]-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

Related Compounds

8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-heptyl-1H-indole
CID 15360907
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
4-(1H-indol-3-yl)butanamide
CID 588715
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
S-[4-(1H-indol-3-yl)butyl] ethanethioate
CID 125470849
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-yl)butyl]-1H-indole?
The IUPAC name of 3-[4-(1H-indol-3-yl)butyl]-1H-indole (CID 57060044) is 3-[4-(1H-indol-3-yl)butyl]-1H-indole.
What is the SMILES notation for 3-[4-(1H-indol-3-yl)butyl]-1H-indole?
The canonical SMILES for 3-[4-(1H-indol-3-yl)butyl]-1H-indole is c1ccc2c(CCCCc3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 3-[4-(1H-indol-3-yl)butyl]-1H-indole?
The InChIKey is LLOQZVWRLWIVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1(7-15-13-21-19-11-5-3-9-17(15)19)2-8-16-14-22-20-12-6-4-10-18(16)20/h3-6,9-14,21-22H,1-2,7-8H2.
What are the key properties of 3-[4-(1H-indol-3-yl)butyl]-1H-indole?
3-[4-(1H-indol-3-yl)butyl]-1H-indole has a molecular weight of 288.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-yl)butyl]-1H-indole is sourced from PubChem (CID 57060044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).