3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole

C18H16N2O — CID 12989853

IUPAC3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C18H16N2O/c1-21-15-6-7-18-16(10-15)13(11-19-18)9-14-8-12-4-2-3-5-17(12)20-14/h2-8,10-11,19-20H,9H2,1H3
InChIKeyXKHNUOWONZJDIJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.25
Rot. Bonds3

About 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole

3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole (PubChem CID 12989853) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole
PubChem CID12989853
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C18H16N2O/c1-21-15-6-7-18-16(10-15)13(11-19-18)9-14-8-12-4-2-3-5-17(12)20-14/h2-8,10-11,19-20H,9H2,1H3
InChIKeyXKHNUOWONZJDIJ-UHFFFAOYSA-N
XLogP4.25
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole?
The IUPAC name of 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole (CID 12989853) is 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole.
What is the SMILES notation for 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole?
The canonical SMILES for 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole is COc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1.
What is the InChIKey of 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole?
The InChIKey is XKHNUOWONZJDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-21-15-6-7-18-16(10-15)13(11-19-18)9-14-8-12-4-2-3-5-17(12)20-14/h2-8,10-11,19-20H,9H2,1H3.
What are the key properties of 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole?
3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole has a molecular weight of 276.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole is sourced from PubChem (CID 12989853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).