2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole

C36H25BrN4 — CID 146679981

IUPAC2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESBrc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C36H25BrN4/c37-30-23-28(35-38-31(24-13-5-1-6-14-24)32(39-35)25-15-7-2-8-16-25)21-22-29(30)36-40-33(26-17-9-3-10-18-26)34(41-36)27-19-11-4-12-20-27/h1-23H,(H,38,39)(H,40,41)
InChIKeyAJNGTUPKYVDEDM-UHFFFAOYSA-N
MW593.53 g/mol
LogP9.90
Rot. Bonds6

About 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole

2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 146679981) has the molecular formula C36H25BrN4 and a molecular weight of 593.53 g/mol. Its IUPAC name is 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
PubChem CID146679981
Molecular FormulaC36H25BrN4
Molecular Weight593.53 g/mol
Exact Mass592.13
IUPAC Name2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESBrc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C36H25BrN4/c37-30-23-28(35-38-31(24-13-5-1-6-14-24)32(39-35)25-15-7-2-8-16-25)21-22-29(30)36-40-33(26-17-9-3-10-18-26)34(41-36)27-19-11-4-12-20-27/h1-23H,(H,38,39)(H,40,41)
InChIKeyAJNGTUPKYVDEDM-UHFFFAOYSA-N
XLogP9.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.53
LogP ≤ 59.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole (CID 146679981) is 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole is Brc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is AJNGTUPKYVDEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BrN4/c37-30-23-28(35-38-31(24-13-5-1-6-14-24)32(39-35)25-15-7-2-8-16-25)21-22-29(30)36-40-33(26-17-9-3-10-18-26)34(41-36)27-19-11-4-12-20-27/h1-23H,(H,38,39)(H,40,41).
What are the key properties of 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 593.53 g/mol, XLogP of 9.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 146679981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).