2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde

C17H13BrN2O2 — CID 121249791

IUPAC2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde
SMILESCc1ccc(-n2ccn(-c3cccc(Br)c3C=O)c2=O)cc1
InChIInChI=1S/C17H13BrN2O2/c1-12-5-7-13(8-6-12)19-9-10-20(17(19)22)16-4-2-3-15(18)14(16)11-21/h2-11H,1H3
InChIKeyPYEBQQHMHRUPKY-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.51
Rot. Bonds3

About 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde

2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde (PubChem CID 121249791) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde
PubChem CID121249791
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde
SMILESCc1ccc(-n2ccn(-c3cccc(Br)c3C=O)c2=O)cc1
InChIInChI=1S/C17H13BrN2O2/c1-12-5-7-13(8-6-12)19-9-10-20(17(19)22)16-4-2-3-15(18)14(16)11-21/h2-11H,1H3
InChIKeyPYEBQQHMHRUPKY-UHFFFAOYSA-N
XLogP3.51
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde?
The IUPAC name of 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde (CID 121249791) is 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde.
What is the SMILES notation for 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde?
The canonical SMILES for 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde is Cc1ccc(-n2ccn(-c3cccc(Br)c3C=O)c2=O)cc1.
What is the InChIKey of 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde?
The InChIKey is PYEBQQHMHRUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-12-5-7-13(8-6-12)19-9-10-20(17(19)22)16-4-2-3-15(18)14(16)11-21/h2-11H,1H3.
What are the key properties of 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde?
2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde has a molecular weight of 357.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzaldehyde is sourced from PubChem (CID 121249791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).