bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone

C43H28Br2N4O — CID 3106846

IUPACbis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1)c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C43H28Br2N4O/c44-35-23-19-33(20-24-35)42-46-37(27-7-3-1-4-8-27)39(48-42)29-11-15-31(16-12-29)41(50)32-17-13-30(14-18-32)40-38(28-9-5-2-6-10-28)47-43(49-40)34-21-25-36(45)26-22-34/h1-26H,(H,46,48)(H,47,49)
InChIKeyWCQQLWWAOOZURK-UHFFFAOYSA-N
MW776.53 g/mol
LogP11.89
Rot. Bonds8

About bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone

bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone (PubChem CID 3106846) has the molecular formula C43H28Br2N4O and a molecular weight of 776.53 g/mol. Its IUPAC name is bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
PubChem CID3106846
Molecular FormulaC43H28Br2N4O
Molecular Weight776.53 g/mol
Exact Mass774.06
IUPAC Namebis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1)c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C43H28Br2N4O/c44-35-23-19-33(20-24-35)42-46-37(27-7-3-1-4-8-27)39(48-42)29-11-15-31(16-12-29)41(50)32-17-13-30(14-18-32)40-38(28-9-5-2-6-10-28)47-43(49-40)34-21-25-36(45)26-22-34/h1-26H,(H,46,48)(H,47,49)
InChIKeyWCQQLWWAOOZURK-UHFFFAOYSA-N
XLogP11.89
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.53
LogP ≤ 511.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The IUPAC name of bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone (CID 3106846) is bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone.
What is the SMILES notation for bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The canonical SMILES for bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone is O=C(c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1)c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The InChIKey is WCQQLWWAOOZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28Br2N4O/c44-35-23-19-33(20-24-35)42-46-37(27-7-3-1-4-8-27)39(48-42)29-11-15-31(16-12-29)41(50)32-17-13-30(14-18-32)40-38(28-9-5-2-6-10-28)47-43(49-40)34-21-25-36(45)26-22-34/h1-26H,(H,46,48)(H,47,49).
What are the key properties of bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone has a molecular weight of 776.53 g/mol, XLogP of 11.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone is sourced from PubChem (CID 3106846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).