8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

C25H18ClN3S — CID 23907328

About 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23907328) has the molecular formula C25H18ClN3S and a molecular weight of 427.96 g/mol. Its IUPAC name is 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

• Compound Name: 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
• PubChem CID: 23907328
• Molecular Formula: C25H18ClN3S
• Molecular Weight: 427.96 g/mol
• Exact Mass: 427.09
• IUPAC Name: 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
• SMILES: Cc1ccc(-c2cnc(=S)n3cc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1Cl
• InChI: InChI=1S/C25H18ClN3S/c1-16-7-8-20(13-22(16)26)21-14-27-25(30)29-15-23(28-24(21)29)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-15,28H,1H3
• InChIKey: IFOGQSCCMQYQCE-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.96
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?

The IUPAC name of 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23907328) is 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

What is the SMILES notation for 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?

The canonical SMILES for 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is Cc1ccc(-c2cnc(=S)n3cc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1Cl.

What is the InChIKey of 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?

The InChIKey is IFOGQSCCMQYQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3S/c1-16-7-8-20(13-22(16)26)21-14-27-25(30)29-15-23(28-24(21)29)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-15,28H,1H3.

What are the key properties of 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?

8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 427.96 g/mol, XLogP of 7.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23907328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).