1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H23N3O5 — CID 4898734

About 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4898734) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4898734
• Molecular Formula: C25H23N3O5
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.16
• IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCn2ccnc2)cc1OC
• InChI: InChI=1S/C25H23N3O5/c1-31-19-9-8-16(14-20(19)32-2)22-21-23(29)17-6-3-4-7-18(17)33-24(21)25(30)28(22)12-5-11-27-13-10-26-15-27/h3-4,6-10,13-15,22H,5,11-12H2,1-2H3
• InChIKey: BJBRLSLPTPMKDR-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 86.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4898734) is 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCn2ccnc2)cc1OC.

What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is BJBRLSLPTPMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-31-19-9-8-16(14-20(19)32-2)22-21-23(29)17-6-3-4-7-18(17)33-24(21)25(30)28(22)12-5-11-27-13-10-26-15-27/h3-4,6-10,13-15,22H,5,11-12H2,1-2H3.

What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 445.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4898734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).