3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole

C27H18BrN5 — CID 58882290

IUPAC3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4c[nH]c5ccccc45)c(-c4c[nH]c5ccccc45)[nH]3)c2c1
InChIInChI=1S/C27H18BrN5/c28-15-9-10-24-18(11-15)21(14-31-24)27-32-25(19-12-29-22-7-3-1-5-16(19)22)26(33-27)20-13-30-23-8-4-2-6-17(20)23/h1-14,29-31H,(H,32,33)
InChIKeyTVFGGQBMYSTXQH-UHFFFAOYSA-N
MW492.38 g/mol
LogP7.62
Rot. Bonds3

About 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole

3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole (PubChem CID 58882290) has the molecular formula C27H18BrN5 and a molecular weight of 492.38 g/mol. Its IUPAC name is 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole
PubChem CID58882290
Molecular FormulaC27H18BrN5
Molecular Weight492.38 g/mol
Exact Mass491.07
IUPAC Name3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4c[nH]c5ccccc45)c(-c4c[nH]c5ccccc45)[nH]3)c2c1
InChIInChI=1S/C27H18BrN5/c28-15-9-10-24-18(11-15)21(14-31-24)27-32-25(19-12-29-22-7-3-1-5-16(19)22)26(33-27)20-13-30-23-8-4-2-6-17(20)23/h1-14,29-31H,(H,32,33)
InChIKeyTVFGGQBMYSTXQH-UHFFFAOYSA-N
XLogP7.62
TPSA76.05 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.38
LogP ≤ 57.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The IUPAC name of 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole (CID 58882290) is 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole.
What is the SMILES notation for 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The canonical SMILES for 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4c[nH]c5ccccc45)c(-c4c[nH]c5ccccc45)[nH]3)c2c1.
What is the InChIKey of 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The InChIKey is TVFGGQBMYSTXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18BrN5/c28-15-9-10-24-18(11-15)21(14-31-24)27-32-25(19-12-29-22-7-3-1-5-16(19)22)26(33-27)20-13-30-23-8-4-2-6-17(20)23/h1-14,29-31H,(H,32,33).
What are the key properties of 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole has a molecular weight of 492.38 g/mol, XLogP of 7.62, 3 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(1H-indol-3-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole is sourced from PubChem (CID 58882290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).