4-(indol-1-ylmethyl)-3-methyl-1H-indole

C18H16N2 — CID 143531682

IUPAC4-(indol-1-ylmethyl)-3-methyl-1H-indole
SMILESCc1c[nH]c2cccc(Cn3ccc4ccccc43)c12
InChIInChI=1S/C18H16N2/c1-13-11-19-16-7-4-6-15(18(13)16)12-20-10-9-14-5-2-3-8-17(14)20/h2-11,19H,12H2,1H3
InChIKeyFEPUNKSGVFESFL-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.48
Rot. Bonds2

About 4-(indol-1-ylmethyl)-3-methyl-1H-indole

4-(indol-1-ylmethyl)-3-methyl-1H-indole (PubChem CID 143531682) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(indol-1-ylmethyl)-3-methyl-1H-indole.

Molecular Properties

Compound Name4-(indol-1-ylmethyl)-3-methyl-1H-indole
PubChem CID143531682
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-(indol-1-ylmethyl)-3-methyl-1H-indole
SMILESCc1c[nH]c2cccc(Cn3ccc4ccccc43)c12
InChIInChI=1S/C18H16N2/c1-13-11-19-16-7-4-6-15(18(13)16)12-20-10-9-14-5-2-3-8-17(14)20/h2-11,19H,12H2,1H3
InChIKeyFEPUNKSGVFESFL-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(indol-1-ylmethyl)-3-methyl-1H-indole?
The IUPAC name of 4-(indol-1-ylmethyl)-3-methyl-1H-indole (CID 143531682) is 4-(indol-1-ylmethyl)-3-methyl-1H-indole.
What is the SMILES notation for 4-(indol-1-ylmethyl)-3-methyl-1H-indole?
The canonical SMILES for 4-(indol-1-ylmethyl)-3-methyl-1H-indole is Cc1c[nH]c2cccc(Cn3ccc4ccccc43)c12.
What is the InChIKey of 4-(indol-1-ylmethyl)-3-methyl-1H-indole?
The InChIKey is FEPUNKSGVFESFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-11-19-16-7-4-6-15(18(13)16)12-20-10-9-14-5-2-3-8-17(14)20/h2-11,19H,12H2,1H3.
What are the key properties of 4-(indol-1-ylmethyl)-3-methyl-1H-indole?
4-(indol-1-ylmethyl)-3-methyl-1H-indole 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 4-(indol-1-ylmethyl)-3-methyl-1H-indole is sourced from PubChem (CID 143531682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).