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

C17H13BrN2 — CID 118885450

IUPAC5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H13BrN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2
InChIKeyCJPJRGOFUZQGNL-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.00
Rot. Bonds2

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

5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole (PubChem CID 118885450) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
PubChem CID118885450
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H13BrN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2
InChIKeyCJPJRGOFUZQGNL-UHFFFAOYSA-N
XLogP5.00
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
The IUPAC name of 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole (CID 118885450) is 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole is Brc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1.
What is the InChIKey of 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
The InChIKey is CJPJRGOFUZQGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2.
What are the key properties of 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole has a molecular weight of 325.21 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole is sourced from PubChem (CID 118885450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).