5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one

C26H19ClN4OS — CID 4671454

About 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one

5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 4671454) has the molecular formula C26H19ClN4OS and a molecular weight of 470.99 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

• Compound Name: 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one
• PubChem CID: 4671454
• Molecular Formula: C26H19ClN4OS
• Molecular Weight: 470.99 g/mol
• Exact Mass: 470.10
• IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one
• SMILES: O=C1C(Cc2c[nH]c3ccccc23)N=C2c3ccccc3N=C(SCc3ccccc3Cl)N12
• InChI: InChI=1S/C26H19ClN4OS/c27-20-10-4-1-7-16(20)15-33-26-30-22-12-6-3-9-19(22)24-29-23(25(32)31(24)26)13-17-14-28-21-11-5-2-8-18(17)21/h1-12,14,23,28H,13,15H2
• InChIKey: FDTYHAUGRCIWSQ-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 60.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.99
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one?

The IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one (CID 4671454) is 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one.

What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one?

The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one is O=C1C(Cc2c[nH]c3ccccc23)N=C2c3ccccc3N=C(SCc3ccccc3Cl)N12.

What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one?

The InChIKey is FDTYHAUGRCIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4OS/c27-20-10-4-1-7-16(20)15-33-26-30-22-12-6-3-9-19(22)24-29-23(25(32)31(24)26)13-17-14-28-21-11-5-2-8-18(17)21/h1-12,14,23,28H,13,15H2.

What are the key properties of 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one?

5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 470.99 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorophenyl)methylsulfanyl]-2-(1H-indol-3-ylmethyl)-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 4671454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).