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

C22H15BrN2O — CID 88936934

IUPAC4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C22H15BrN2O/c23-19-12-10-17(11-13-19)21-20(16-4-2-1-3-5-16)24-22(25-21)18-8-6-15(14-26)7-9-18/h1-14H,(H,24,25)
InChIKeyPZIPIJFSHTZELR-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.99
Rot. Bonds4

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

4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde (PubChem CID 88936934) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde
PubChem CID88936934
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC Name4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C22H15BrN2O/c23-19-12-10-17(11-13-19)21-20(16-4-2-1-3-5-16)24-22(25-21)18-8-6-15(14-26)7-9-18/h1-14H,(H,24,25)
InChIKeyPZIPIJFSHTZELR-UHFFFAOYSA-N
XLogP5.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
4-[4-[6-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]-9-oxofluoren-3-yl]-5-phenyl-1H-imidazol-2-yl]benzaldehyde
CID 136507140
(E)-1-(4-bromophenyl)-N-[5-(4-bromophenyl)-2-phenyl-1H-imidazol-4-yl]methanimine
CID 177468100
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
(Z)-2-cyano-3-[4-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 177497739
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
2-[2-bromo-4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
CID 146679981

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde?
The IUPAC name of 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde (CID 88936934) is 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde is O=Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde?
The InChIKey is PZIPIJFSHTZELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/c23-19-12-10-17(11-13-19)21-20(16-4-2-1-3-5-16)24-22(25-21)18-8-6-15(14-26)7-9-18/h1-14H,(H,24,25).
What are the key properties of 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde?
4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde has a molecular weight of 403.28 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde is sourced from PubChem (CID 88936934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).