4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde

C18H14N2O2 — CID 134848891

IUPAC4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde
SMILESCn1c(-c2ccc(C=O)cc2)cnc1-c1ccc(C=O)cc1
InChIInChI=1S/C18H14N2O2/c1-20-17(15-6-2-13(11-21)3-7-15)10-19-18(20)16-8-4-14(12-22)5-9-16/h2-12H,1H3
InChIKeyCKUIHKNAATZBQQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.38
Rot. Bonds4

About 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde

4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde (PubChem CID 134848891) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde
PubChem CID134848891
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde
SMILESCn1c(-c2ccc(C=O)cc2)cnc1-c1ccc(C=O)cc1
InChIInChI=1S/C18H14N2O2/c1-20-17(15-6-2-13(11-21)3-7-15)10-19-18(20)16-8-4-14(12-22)5-9-16/h2-12H,1H3
InChIKeyCKUIHKNAATZBQQ-UHFFFAOYSA-N
XLogP3.38
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.38
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 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde?
The IUPAC name of 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde (CID 134848891) is 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde?
The canonical SMILES for 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde is Cn1c(-c2ccc(C=O)cc2)cnc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde?
The InChIKey is CKUIHKNAATZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-20-17(15-6-2-13(11-21)3-7-15)10-19-18(20)16-8-4-14(12-22)5-9-16/h2-12H,1H3.
What are the key properties of 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde?
4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde has a molecular weight of 290.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-formylphenyl)-3-methylimidazol-4-yl]benzaldehyde is sourced from PubChem (CID 134848891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).