5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole

C36H26BrN3O — CID 122191964

IUPAC5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
SMILESCOc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H26BrN3O/c1-41-29-20-18-28(19-21-29)40-35(26-15-9-4-10-16-26)34(25-13-7-3-8-14-25)39-36(40)32-30-23-27(37)17-22-31(30)38-33(32)24-11-5-2-6-12-24/h2-23,38H,1H3
InChIKeyFBVYVAQLQNUVRS-UHFFFAOYSA-N
MW596.53 g/mol
LogP9.79
Rot. Bonds6

About 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole

5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole (PubChem CID 122191964) has the molecular formula C36H26BrN3O and a molecular weight of 596.53 g/mol. Its IUPAC name is 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
PubChem CID122191964
Molecular FormulaC36H26BrN3O
Molecular Weight596.53 g/mol
Exact Mass595.13
IUPAC Name5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
SMILESCOc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H26BrN3O/c1-41-29-20-18-28(19-21-29)40-35(26-15-9-4-10-16-26)34(25-13-7-3-8-14-25)39-36(40)32-30-23-27(37)17-22-31(30)38-33(32)24-11-5-2-6-12-24/h2-23,38H,1H3
InChIKeyFBVYVAQLQNUVRS-UHFFFAOYSA-N
XLogP9.79
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.53
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The IUPAC name of 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole (CID 122191964) is 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole is COc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The InChIKey is FBVYVAQLQNUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26BrN3O/c1-41-29-20-18-28(19-21-29)40-35(26-15-9-4-10-16-26)34(25-13-7-3-8-14-25)39-36(40)32-30-23-27(37)17-22-31(30)38-33(32)24-11-5-2-6-12-24/h2-23,38H,1H3.
What are the key properties of 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole has a molecular weight of 596.53 g/mol, XLogP of 9.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole is sourced from PubChem (CID 122191964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).