5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole

C21H20Br2N2 — CID 102127981

IUPAC5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
SMILESCn1cc(C(C)(C)c2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C21H20Br2N2/c1-21(2,17-11-24(3)19-7-5-13(22)9-15(17)19)18-12-25(4)20-8-6-14(23)10-16(18)20/h5-12H,1-4H3
InChIKeyHXAUNNPTGCYZPO-UHFFFAOYSA-N
MW460.21 g/mol
LogP6.52
Rot. Bonds2

About 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole

5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole (PubChem CID 102127981) has the molecular formula C21H20Br2N2 and a molecular weight of 460.21 g/mol. Its IUPAC name is 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole.

Molecular Properties

Compound Name5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
PubChem CID102127981
Molecular FormulaC21H20Br2N2
Molecular Weight460.21 g/mol
Exact Mass458.00
IUPAC Name5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
SMILESCn1cc(C(C)(C)c2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C21H20Br2N2/c1-21(2,17-11-24(3)19-7-5-13(22)9-15(17)19)18-12-25(4)20-8-6-14(23)10-16(18)20/h5-12H,1-4H3
InChIKeyHXAUNNPTGCYZPO-UHFFFAOYSA-N
XLogP6.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.21
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole?
The IUPAC name of 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole (CID 102127981) is 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole.
What is the SMILES notation for 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole?
The canonical SMILES for 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole is Cn1cc(C(C)(C)c2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole?
The InChIKey is HXAUNNPTGCYZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Br2N2/c1-21(2,17-11-24(3)19-7-5-13(22)9-15(17)19)18-12-25(4)20-8-6-14(23)10-16(18)20/h5-12H,1-4H3.
What are the key properties of 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole?
5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole has a molecular weight of 460.21 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole is sourced from PubChem (CID 102127981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).