3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine

C16H12BrN3 — CID 59364288

IUPAC3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C16H12BrN3/c17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16/h1-8,19-20H,18H2
InChIKeySNHJNGQDWVZJFW-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.66
Rot. Bonds1

About 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine

3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine (PubChem CID 59364288) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine
PubChem CID59364288
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC Name3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine
SMILESNc1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C16H12BrN3/c17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16/h1-8,19-20H,18H2
InChIKeySNHJNGQDWVZJFW-UHFFFAOYSA-N
XLogP4.66
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine (CID 59364288) is 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine is Nc1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine?
The InChIKey is SNHJNGQDWVZJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3/c17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16/h1-8,19-20H,18H2.
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine?
3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine has a molecular weight of 326.20 g/mol, XLogP of 4.66, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-1H-indol-5-amine is sourced from PubChem (CID 59364288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).