2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole

C35H24BrN3 — CID 122191969

IUPAC2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
SMILESBrc1ccc(-c2[nH]c3ccccc3c2-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C35H24BrN3/c36-27-22-20-25(21-23-27)32-31(29-18-10-11-19-30(29)37-32)35-38-33(24-12-4-1-5-13-24)34(26-14-6-2-7-15-26)39(35)28-16-8-3-9-17-28/h1-23,37H
InChIKeyWYCCIXGRPXNLTL-UHFFFAOYSA-N
MW566.50 g/mol
LogP9.78
Rot. Bonds5

About 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole

2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole (PubChem CID 122191969) has the molecular formula C35H24BrN3 and a molecular weight of 566.50 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
PubChem CID122191969
Molecular FormulaC35H24BrN3
Molecular Weight566.50 g/mol
Exact Mass565.12
IUPAC Name2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole
SMILESBrc1ccc(-c2[nH]c3ccccc3c2-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C35H24BrN3/c36-27-22-20-25(21-23-27)32-31(29-18-10-11-19-30(29)37-32)35-38-33(24-12-4-1-5-13-24)34(26-14-6-2-7-15-26)39(35)28-16-8-3-9-17-28/h1-23,37H
InChIKeyWYCCIXGRPXNLTL-UHFFFAOYSA-N
XLogP9.78
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
The IUPAC name of 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole (CID 122191969) is 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole.
What is the SMILES notation for 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
The canonical SMILES for 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole is Brc1ccc(-c2[nH]c3ccccc3c2-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
The InChIKey is WYCCIXGRPXNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN3/c36-27-22-20-25(21-23-27)32-31(29-18-10-11-19-30(29)37-32)35-38-33(24-12-4-1-5-13-24)34(26-14-6-2-7-15-26)39(35)28-16-8-3-9-17-28/h1-23,37H.
What are the key properties of 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole?
2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole has a molecular weight of 566.50 g/mol, XLogP of 9.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole is sourced from PubChem (CID 122191969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).