6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole

C19H12Br2N4 — CID 57400200

IUPAC6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
SMILESBrc1ccc2cc(-c3cnc(-c4c[nH]c5cc(Br)ccc45)[nH]3)[nH]c2c1
InChIInChI=1S/C19H12Br2N4/c20-11-2-1-10-5-17(24-15(10)6-11)18-9-23-19(25-18)14-8-22-16-7-12(21)3-4-13(14)16/h1-9,22,24H,(H,23,25)
InChIKeyJJIGSWJWPYFYTC-UHFFFAOYSA-N
MW456.14 g/mol
LogP6.23
Rot. Bonds2

About 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole

6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole (PubChem CID 57400200) has the molecular formula C19H12Br2N4 and a molecular weight of 456.14 g/mol. Its IUPAC name is 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole.

Molecular Properties

Compound Name6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
PubChem CID57400200
Molecular FormulaC19H12Br2N4
Molecular Weight456.14 g/mol
Exact Mass453.94
IUPAC Name6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
SMILESBrc1ccc2cc(-c3cnc(-c4c[nH]c5cc(Br)ccc45)[nH]3)[nH]c2c1
InChIInChI=1S/C19H12Br2N4/c20-11-2-1-10-5-17(24-15(10)6-11)18-9-23-19(25-18)14-8-22-16-7-12(21)3-4-13(14)16/h1-9,22,24H,(H,23,25)
InChIKeyJJIGSWJWPYFYTC-UHFFFAOYSA-N
XLogP6.23
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.14
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole?
The IUPAC name of 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole (CID 57400200) is 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole.
What is the SMILES notation for 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole?
The canonical SMILES for 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole is Brc1ccc2cc(-c3cnc(-c4c[nH]c5cc(Br)ccc45)[nH]3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole?
The InChIKey is JJIGSWJWPYFYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N4/c20-11-2-1-10-5-17(24-15(10)6-11)18-9-23-19(25-18)14-8-22-16-7-12(21)3-4-13(14)16/h1-9,22,24H,(H,23,25).
What are the key properties of 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole?
6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole has a molecular weight of 456.14 g/mol, XLogP of 6.23, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole is sourced from PubChem (CID 57400200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).