3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole

C18H16N2 — CID 118886861

IUPAC3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole
SMILESCc1ccc2c(Cc3cc4ccccc4[nH]3)c[nH]c2c1
InChIInChI=1S/C18H16N2/c1-12-6-7-16-14(11-19-18(16)8-12)10-15-9-13-4-2-3-5-17(13)20-15/h2-9,11,19-20H,10H2,1H3
InChIKeyFJXXGXJCSCYUNU-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.55
Rot. Bonds2

About 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole

3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole (PubChem CID 118886861) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole.

Molecular Properties

Compound Name3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole
PubChem CID118886861
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole
SMILESCc1ccc2c(Cc3cc4ccccc4[nH]3)c[nH]c2c1
InChIInChI=1S/C18H16N2/c1-12-6-7-16-14(11-19-18(16)8-12)10-15-9-13-4-2-3-5-17(13)20-15/h2-9,11,19-20H,10H2,1H3
InChIKeyFJXXGXJCSCYUNU-UHFFFAOYSA-N
XLogP4.55
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3-(1H-indol-2-ylmethyl)-6-methyl-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-(1H-indol-2-ylmethyl)-6-methyl-1H-indole?
The IUPAC name of 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole (CID 118886861) is 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole.
What is the SMILES notation for 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole?
The canonical SMILES for 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole is Cc1ccc2c(Cc3cc4ccccc4[nH]3)c[nH]c2c1.
What is the InChIKey of 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole?
The InChIKey is FJXXGXJCSCYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-12-6-7-16-14(11-19-18(16)8-12)10-15-9-13-4-2-3-5-17(13)20-15/h2-9,11,19-20H,10H2,1H3.
What are the key properties of 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole?
3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole has a molecular weight of 260.34 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole is sourced from PubChem (CID 118886861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).