5-bromo-3-(1H-indol-4-yl)-1-methylindole

C17H13BrN2 — CID 71323714

IUPAC5-bromo-3-(1H-indol-4-yl)-1-methylindole
SMILESCn1cc(-c2cccc3[nH]ccc23)c2cc(Br)ccc21
InChIInChI=1S/C17H13BrN2/c1-20-10-15(14-9-11(18)5-6-17(14)20)12-3-2-4-16-13(12)7-8-19-16/h2-10,19H,1H3
InChIKeyVZIHKGJQDGHLQA-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.09
Rot. Bonds1

About 5-bromo-3-(1H-indol-4-yl)-1-methylindole

5-bromo-3-(1H-indol-4-yl)-1-methylindole (PubChem CID 71323714) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-3-(1H-indol-4-yl)-1-methylindole.

Molecular Properties

Compound Name5-bromo-3-(1H-indol-4-yl)-1-methylindole
PubChem CID71323714
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name5-bromo-3-(1H-indol-4-yl)-1-methylindole
SMILESCn1cc(-c2cccc3[nH]ccc23)c2cc(Br)ccc21
InChIInChI=1S/C17H13BrN2/c1-20-10-15(14-9-11(18)5-6-17(14)20)12-3-2-4-16-13(12)7-8-19-16/h2-10,19H,1H3
InChIKeyVZIHKGJQDGHLQA-UHFFFAOYSA-N
XLogP5.09
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1H-indol-4-yl)-1-methylindole?
The IUPAC name of 5-bromo-3-(1H-indol-4-yl)-1-methylindole (CID 71323714) is 5-bromo-3-(1H-indol-4-yl)-1-methylindole.
What is the SMILES notation for 5-bromo-3-(1H-indol-4-yl)-1-methylindole?
The canonical SMILES for 5-bromo-3-(1H-indol-4-yl)-1-methylindole is Cn1cc(-c2cccc3[nH]ccc23)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-(1H-indol-4-yl)-1-methylindole?
The InChIKey is VZIHKGJQDGHLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c1-20-10-15(14-9-11(18)5-6-17(14)20)12-3-2-4-16-13(12)7-8-19-16/h2-10,19H,1H3.
What are the key properties of 5-bromo-3-(1H-indol-4-yl)-1-methylindole?
5-bromo-3-(1H-indol-4-yl)-1-methylindole has a molecular weight of 325.21 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1H-indol-4-yl)-1-methylindole is sourced from PubChem (CID 71323714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).