5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol

C19H23N3O3 — CID 91140340

About 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol

5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol (PubChem CID 91140340) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol.

Molecular Properties

• Compound Name: 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
• PubChem CID: 91140340
• Molecular Formula: C19H23N3O3
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.17
• IUPAC Name: 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
• SMILES: CC(C)c1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1O
• InChI: InChI=1S/C19H23N3O3/c1-13(2)16-17(14-6-3-4-7-15(14)23)22(19(25)18(16)24)10-5-9-21-11-8-20-12-21/h3-4,6-8,11-13,23-25H,5,9-10H2,1-2H3
• InChIKey: KBLNPVSZMVQVHL-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 83.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?

The IUPAC name of 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol (CID 91140340) is 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol.

What is the SMILES notation for 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?

The canonical SMILES for 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol is CC(C)c1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1O.

What is the InChIKey of 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?

The InChIKey is KBLNPVSZMVQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)16-17(14-6-3-4-7-15(14)23)22(19(25)18(16)24)10-5-9-21-11-8-20-12-21/h3-4,6-8,11-13,23-25H,5,9-10H2,1-2H3.

What are the key properties of 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?

5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol has a molecular weight of 341.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol is sourced from PubChem (CID 91140340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).