7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde

C47H40N12O8S — CID 161371937

About 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde

7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde (PubChem CID 161371937) has the molecular formula C47H40N12O8S and a molecular weight of 932.98 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde.

Molecular Properties

• Compound Name: 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde
• PubChem CID: 161371937
• Molecular Formula: C47H40N12O8S
• Molecular Weight: 932.98 g/mol
• Exact Mass: 932.28
• IUPAC Name: 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde
• SMILES: Cc1cn(-c2ccc(C=O)c3c2OCO3)cn1.Cc1cn(-c2cnc(C=O)c3c2CCO3)cn1.Cc1cn(-c2cnc(C=O)c3c2OCC3)cn1.Cc1cn(-c2ncc(C=O)c3ncsc23)cn1
• InChI: InChI=1S/2C12H11N3O2.C12H10N2O3.C11H8N4OS/c1-8-5-15(7-14-8)11-4-13-10(6-16)12-9(11)2-3-17-12;1-8-5-15(7-14-8)11-4-13-10(6-16)9-2-3-17-12(9)11;1-8-4-14(6-13-8)10-3-2-9(5-15)11-12(10)17-7-16-11;1-7-3-15(5-13-7)11-10-9(14-6-17-10)8(4-16)2-12-11/h2*4-7H,2-3H2,1H3;2-6H,7H2,1H3;2-6H,1H3
• InChIKey: VQONXFADJWZSAS-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 228.04 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.98
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde?

The IUPAC name of 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde (CID 161371937) is 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde.

What is the SMILES notation for 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde?

The canonical SMILES for 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde is Cc1cn(-c2ccc(C=O)c3c2OCO3)cn1.Cc1cn(-c2cnc(C=O)c3c2CCO3)cn1.Cc1cn(-c2cnc(C=O)c3c2OCC3)cn1.Cc1cn(-c2ncc(C=O)c3ncsc23)cn1.

What is the InChIKey of 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde?

The InChIKey is VQONXFADJWZSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11N3O2.C12H10N2O3.C11H8N4OS/c1-8-5-15(7-14-8)11-4-13-10(6-16)12-9(11)2-3-17-12;1-8-5-15(7-14-8)11-4-13-10(6-16)9-2-3-17-12(9)11;1-8-4-14(6-13-8)10-3-2-9(5-15)11-12(10)17-7-16-11;1-7-3-15(5-13-7)11-10-9(14-6-17-10)8(4-16)2-12-11/h2*4-7H,2-3H2,1H3;2-6H,7H2,1H3;2-6H,1H3.

What are the key properties of 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde?

7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde has a molecular weight of 932.98 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methylimidazol-1-yl)-1,3-benzodioxole-4-carbaldehyde;4-(4-methylimidazol-1-yl)-2,3-dihydrofuro[2,3-c]pyridine-7-carbaldehyde;7-(4-methylimidazol-1-yl)-2,3-dihydrofuro[3,2-c]pyridine-4-carbaldehyde;4-(4-methylimidazol-1-yl)-[1,3]thiazolo[5,4-c]pyridine-7-carbaldehyde is sourced from PubChem (CID 161371937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).