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

C36H26BrN3 — CID 122191965

IUPAC5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
SMILESCc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H26BrN3/c1-24-17-20-29(21-18-24)40-35(27-15-9-4-10-16-27)34(26-13-7-3-8-14-26)39-36(40)32-30-23-28(37)19-22-31(30)38-33(32)25-11-5-2-6-12-25/h2-23,38H,1H3
InChIKeyXBWSZRWZPRFVMH-UHFFFAOYSA-N
MW580.53 g/mol
LogP10.09
Rot. Bonds5

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

5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole (PubChem CID 122191965) has the molecular formula C36H26BrN3 and a molecular weight of 580.53 g/mol. Its IUPAC name is 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
PubChem CID122191965
Molecular FormulaC36H26BrN3
Molecular Weight580.53 g/mol
Exact Mass579.13
IUPAC Name5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole
SMILESCc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H26BrN3/c1-24-17-20-29(21-18-24)40-35(27-15-9-4-10-16-27)34(26-13-7-3-8-14-26)39-36(40)32-30-23-28(37)19-22-31(30)38-33(32)25-11-5-2-6-12-25/h2-23,38H,1H3
InChIKeyXBWSZRWZPRFVMH-UHFFFAOYSA-N
XLogP10.09
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.53
LogP ≤ 510.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The IUPAC name of 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole (CID 122191965) is 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole is Cc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
The InChIKey is XBWSZRWZPRFVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26BrN3/c1-24-17-20-29(21-18-24)40-35(27-15-9-4-10-16-27)34(26-13-7-3-8-14-26)39-36(40)32-30-23-28(37)19-22-31(30)38-33(32)25-11-5-2-6-12-25/h2-23,38H,1H3.
What are the key properties of 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole?
5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole has a molecular weight of 580.53 g/mol, XLogP of 10.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-phenyl-1H-indole is sourced from PubChem (CID 122191965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).