5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol

C₁₇H₁₆N₂O — CID 135399999

About 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol

5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol (PubChem CID 135399999) has the molecular formula C₁₇H₁₆N₂O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol.

Molecular Properties

• Compound Name: 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol
• PubChem CID: 135399999
• Molecular Formula: C₁₇H₁₆N₂O
• Molecular Weight: 264.33 g/mol
• Exact Mass: 264.13
• IUPAC Name: 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol
• SMILES: [H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(C)c1
• InChI: InChI=1S/C17H16N2O/c1-12-6-5-9-14(10-12)19-11-15(20)16(17(19)18)13-7-3-2-4-8-13/h2-10,18,20H,11H2,1H3/b18-17-
• InChIKey: BMSCEUZSCGHDNN-ZCXUNETKSA-N
• XLogP: 3.76
• TPSA: 47.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.33
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol?

The IUPAC name of 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol (CID 135399999) is 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol.

What is the SMILES notation for 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol?

The canonical SMILES for 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(C)c1.

What is the InChIKey of 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol?

The InChIKey is BMSCEUZSCGHDNN-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-6-5-9-14(10-12)19-11-15(20)16(17(19)18)13-7-3-2-4-8-13/h2-10,18,20H,11H2,1H3/b18-17-.

What are the key properties of 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol?

5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol has a molecular weight of 264.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135399999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135399999 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.