4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide

C29H25ClN4OS — CID 92865745

About 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide

4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 92865745) has the molecular formula C29H25ClN4OS and a molecular weight of 513.07 g/mol. Its IUPAC name is 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

• Compound Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
• PubChem CID: 92865745
• Molecular Formula: C29H25ClN4OS
• Molecular Weight: 513.07 g/mol
• Exact Mass: 512.14
• IUPAC Name: 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
• SMILES: C[C@@H](NC(=O)c1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccncc32)cc1)c1ccccc1
• InChI: InChI=1S/C29H25ClN4OS/c1-20(23-5-3-2-4-6-23)32-28(35)24-11-7-21(8-12-24)18-34-27-17-31-16-15-26(27)33-29(34)36-19-22-9-13-25(30)14-10-22/h2-17,20H,18-19H2,1H3,(H,32,35)/t20-/m1/s1
• InChIKey: NHRHRMDJIZLAEN-HXUWFJFHSA-N
• XLogP: 6.92
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.07
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide?

The IUPAC name of 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide (CID 92865745) is 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide.

What is the SMILES notation for 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide?

The canonical SMILES for 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccncc32)cc1)c1ccccc1.

What is the InChIKey of 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide?

The InChIKey is NHRHRMDJIZLAEN-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H25ClN4OS/c1-20(23-5-3-2-4-6-23)32-28(35)24-11-7-21(8-12-24)18-34-27-17-31-16-15-26(27)33-29(34)36-19-22-9-13-25(30)14-10-22/h2-17,20H,18-19H2,1H3,(H,32,35)/t20-/m1/s1.

What are the key properties of 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide?

4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 513.07 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 92865745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).