4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

C28H27N5OS — CID 55859593

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (PubChem CID 55859593) has the molecular formula C28H27N5OS and a molecular weight of 481.63 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
• PubChem CID: 55859593
• Molecular Formula: C28H27N5OS
• Molecular Weight: 481.63 g/mol
• Exact Mass: 481.19
• IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
• SMILES: CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1
• InChI: InChI=1S/C28H27N5OS/c1-20(2)27-29-13-15-33(27)17-21-6-5-7-23(16-21)31-28(34)22-9-11-25(12-10-22)35-19-24-18-32-14-4-3-8-26(32)30-24/h3-16,18,20H,17,19H2,1-2H3,(H,31,34)
• InChIKey: IXFZFFMQGSGIHQ-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 64.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.63
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (CID 55859593) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1.

What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

The InChIKey is IXFZFFMQGSGIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5OS/c1-20(2)27-29-13-15-33(27)17-21-6-5-7-23(16-21)31-28(34)22-9-11-25(12-10-22)35-19-24-18-32-14-4-3-8-26(32)30-24/h3-16,18,20H,17,19H2,1-2H3,(H,31,34).

What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide has a molecular weight of 481.63 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55859593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).