1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C28H30N6S — CID 133156542

About 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133156542) has the molecular formula C28H30N6S and a molecular weight of 482.66 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133156542
• Molecular Formula: C28H30N6S
• Molecular Weight: 482.66 g/mol
• Exact Mass: 482.23
• IUPAC Name: 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: CN(C)c1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccc(N(C)C)cc2)cc1
• InChI: InChI=1S/C28H30N6S/c1-31(2)20-10-14-22(15-11-20)33-19-7-9-25(33)27-26(24-8-5-6-18-29-24)30-28(35)34(27)23-16-12-21(13-17-23)32(3)4/h5-19,26-27H,1-4H3,(H,30,35)
• InChIKey: FLACIWSKONIODM-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 39.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.66
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133156542) is 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is CN(C)c1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccc(N(C)C)cc2)cc1.

What is the InChIKey of 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is FLACIWSKONIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6S/c1-31(2)20-10-14-22(15-11-20)33-19-7-9-25(33)27-26(24-8-5-6-18-29-24)30-28(35)34(27)23-16-12-21(13-17-23)32(3)4/h5-19,26-27H,1-4H3,(H,30,35).

What are the key properties of 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 482.66 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133156542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).