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

C23H25N3OS — CID 112833356

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

2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide (PubChem CID 112833356) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
• PubChem CID: 112833356
• Molecular Formula: C23H25N3OS
• Molecular Weight: 391.54 g/mol
• Exact Mass: 391.17
• IUPAC Name: 2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
• SMILES: CC(SCc1ccccc1)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1
• InChI: InChI=1S/C23H25N3OS/c1-17(28-16-18-7-3-2-4-8-18)23(27)25-20-12-10-19(11-13-20)22-24-15-21-9-5-6-14-26(21)22/h2-4,7-8,10-13,15,17H,5-6,9,14,16H2,1H3,(H,25,27)
• InChIKey: LDPINMIKGLGQFJ-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.54
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide (CID 112833356) is 2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide.

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

The canonical SMILES for 2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide is CC(SCc1ccccc1)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1.

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

The InChIKey is LDPINMIKGLGQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-17(28-16-18-7-3-2-4-8-18)23(27)25-20-12-10-19(11-13-20)22-24-15-21-9-5-6-14-26(21)22/h2-4,7-8,10-13,15,17H,5-6,9,14,16H2,1H3,(H,25,27).

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

2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide has a molecular weight of 391.54 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzylsulfanyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide is sourced from PubChem (CID 112833356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).