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

C17H13BrN2 — CID 134502321

IUPAC4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
SMILESBrc1cccc2[nH]cc(Cc3cc4ccccc4[nH]3)c12
InChIInChI=1S/C17H13BrN2/c18-14-5-3-7-16-17(14)12(10-19-16)9-13-8-11-4-1-2-6-15(11)20-13/h1-8,10,19-20H,9H2
InChIKeyIKZMWSGGYFVBSG-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.00
Rot. Bonds2

About 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole

4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole (PubChem CID 134502321) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
PubChem CID134502321
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
SMILESBrc1cccc2[nH]cc(Cc3cc4ccccc4[nH]3)c12
InChIInChI=1S/C17H13BrN2/c18-14-5-3-7-16-17(14)12(10-19-16)9-13-8-11-4-1-2-6-15(11)20-13/h1-8,10,19-20H,9H2
InChIKeyIKZMWSGGYFVBSG-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 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
The IUPAC name of 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole (CID 134502321) is 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole.
What is the SMILES notation for 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
The canonical SMILES for 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole is Brc1cccc2[nH]cc(Cc3cc4ccccc4[nH]3)c12.
What is the InChIKey of 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
The InChIKey is IKZMWSGGYFVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c18-14-5-3-7-16-17(14)12(10-19-16)9-13-8-11-4-1-2-6-15(11)20-13/h1-8,10,19-20H,9H2.
What are the key properties of 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole?
4-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 4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole is sourced from PubChem (CID 134502321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).