4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

C24H25N3OS2 — CID 112833310

About 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 112833310) has the molecular formula C24H25N3OS2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
• PubChem CID: 112833310
• Molecular Formula: C24H25N3OS2
• Molecular Weight: 435.62 g/mol
• Exact Mass: 435.14
• IUPAC Name: 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc(C2SCCCS2)cc1
• InChI: InChI=1S/C24H25N3OS2/c28-23(18-5-7-19(8-6-18)24-29-14-3-15-30-24)26-20-11-9-17(10-12-20)22-25-16-21-4-1-2-13-27(21)22/h5-12,16,24H,1-4,13-15H2,(H,26,28)
• InChIKey: WUJDWRYMXUCTBL-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.62
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The IUPAC name of 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (CID 112833310) is 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The canonical SMILES for 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1ccc(C2SCCCS2)cc1.

What is the InChIKey of 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The InChIKey is WUJDWRYMXUCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS2/c28-23(18-5-7-19(8-6-18)24-29-14-3-15-30-24)26-20-11-9-17(10-12-20)22-25-16-21-4-1-2-13-27(21)22/h5-12,16,24H,1-4,13-15H2,(H,26,28).

What are the key properties of 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 435.62 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 112833310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).