3-(1H-indol-2-ylmethyl)-1-methylindole

C18H16N2 — CID 118709595

IUPAC3-(1H-indol-2-ylmethyl)-1-methylindole
SMILESCn1cc(Cc2cc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3
InChIKeyXSEDDFYLKCPNEV-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.25
Rot. Bonds2

About 3-(1H-indol-2-ylmethyl)-1-methylindole

3-(1H-indol-2-ylmethyl)-1-methylindole (PubChem CID 118709595) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(1H-indol-2-ylmethyl)-1-methylindole.

Molecular Properties

Compound Name3-(1H-indol-2-ylmethyl)-1-methylindole
PubChem CID118709595
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name3-(1H-indol-2-ylmethyl)-1-methylindole
SMILESCn1cc(Cc2cc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3
InChIKeyXSEDDFYLKCPNEV-UHFFFAOYSA-N
XLogP4.25
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-ylmethyl)-1-methylindole?
The IUPAC name of 3-(1H-indol-2-ylmethyl)-1-methylindole (CID 118709595) is 3-(1H-indol-2-ylmethyl)-1-methylindole.
What is the SMILES notation for 3-(1H-indol-2-ylmethyl)-1-methylindole?
The canonical SMILES for 3-(1H-indol-2-ylmethyl)-1-methylindole is Cn1cc(Cc2cc3ccccc3[nH]2)c2ccccc21.
What is the InChIKey of 3-(1H-indol-2-ylmethyl)-1-methylindole?
The InChIKey is XSEDDFYLKCPNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3.
What are the key properties of 3-(1H-indol-2-ylmethyl)-1-methylindole?
3-(1H-indol-2-ylmethyl)-1-methylindole has a molecular weight of 260.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-ylmethyl)-1-methylindole is sourced from PubChem (CID 118709595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).