[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone

C21H15N3O4 — CID 134814244

IUPAC[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc2c1OC=CO2
InChIInChI=1S/C21H15N3O4/c1-26-17-8-12(9-18-20(17)28-7-6-27-18)19(25)16-11-23-21(24-16)14-10-22-15-5-3-2-4-13(14)15/h2-11,22H,1H3,(H,23,24)
InChIKeyMUEAWGZGNIDGNE-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.04
Rot. Bonds4

About [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone

[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone (PubChem CID 134814244) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone
PubChem CID134814244
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc2c1OC=CO2
InChIInChI=1S/C21H15N3O4/c1-26-17-8-12(9-18-20(17)28-7-6-27-18)19(25)16-11-23-21(24-16)14-10-22-15-5-3-2-4-13(14)15/h2-11,22H,1H3,(H,23,24)
InChIKeyMUEAWGZGNIDGNE-UHFFFAOYSA-N
XLogP4.04
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone?
The IUPAC name of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone (CID 134814244) is [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone.
What is the SMILES notation for [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone?
The canonical SMILES for [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone is COc1cc(C(=O)c2cnc(-c3c[nH]c4ccccc34)[nH]2)cc2c1OC=CO2.
What is the InChIKey of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone?
The InChIKey is MUEAWGZGNIDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-26-17-8-12(9-18-20(17)28-7-6-27-18)19(25)16-11-23-21(24-16)14-10-22-15-5-3-2-4-13(14)15/h2-11,22H,1H3,(H,23,24).
What are the key properties of [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone?
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone has a molecular weight of 373.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(5-methoxy-1,4-benzodioxin-7-yl)methanone is sourced from PubChem (CID 134814244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).