1-(1H-indol-6-ylmethyl)-7-methylindole

Name: 1-(1H-indol-6-ylmethyl)-7-methylindole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₆N₂ — CID 167165150

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(1H-indol-6-ylmethyl)-7-methylindole

SMILESCc1cccc2ccn(Cc3ccc4cc[nH]c4c3)c12

InChIInChI=1S/C18H16N2/c1-13-3-2-4-16-8-10-20(18(13)16)12-14-5-6-15-7-9-19-17(15)11-14/h2-11,19H,12H2,1H3

InChIKeyLUBSMVGAWZGFGI-UHFFFAOYSA-N

MW260.34 g/mol

LogP4.48

Rot. Bonds2

About 1-(1H-indol-6-ylmethyl)-7-methylindole

1-(1H-indol-6-ylmethyl)-7-methylindole (PubChem CID 167165150) has the molecular formula C₁₈H₁₆N₂ and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1H-indol-6-ylmethyl)-7-methylindole.

Molecular Properties

Compound Name	1-(1H-indol-6-ylmethyl)-7-methylindole
PubChem CID	167165150
Molecular Formula	C₁₈H₁₆N₂
Molecular Weight	260.34 g/mol
Exact Mass	260.13
IUPAC Name	1-(1H-indol-6-ylmethyl)-7-methylindole
SMILES	Cc1cccc2ccn(Cc3ccc4cc[nH]c4c3)c12
InChI	InChI=1S/C18H16N2/c1-13-3-2-4-16-8-10-20(18(13)16)12-14-5-6-15-7-9-19-17(15)11-14/h2-11,19H,12H2,1H3
InChIKey	LUBSMVGAWZGFGI-UHFFFAOYSA-N
XLogP	4.48
TPSA	20.72 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.34
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-ylmethyl)-7-methylindole?

The IUPAC name of 1-(1H-indol-6-ylmethyl)-7-methylindole (CID 167165150) is 1-(1H-indol-6-ylmethyl)-7-methylindole.

What is the SMILES notation for 1-(1H-indol-6-ylmethyl)-7-methylindole?

The canonical SMILES for 1-(1H-indol-6-ylmethyl)-7-methylindole is Cc1cccc2ccn(Cc3ccc4cc[nH]c4c3)c12.

What is the InChIKey of 1-(1H-indol-6-ylmethyl)-7-methylindole?

The InChIKey is LUBSMVGAWZGFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-3-2-4-16-8-10-20(18(13)16)12-14-5-6-15-7-9-19-17(15)11-14/h2-11,19H,12H2,1H3.

What are the key properties of 1-(1H-indol-6-ylmethyl)-7-methylindole?

1-(1H-indol-6-ylmethyl)-7-methylindole has a molecular weight of 260.34 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-indol-6-ylmethyl)-7-methylindole is sourced from PubChem (CID 167165150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 167165150 — identifiers, structure, computed properties (public domain)

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