N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide

C37H35N5O3S — CID 15295812

About N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide

N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide (PubChem CID 15295812) has the molecular formula C37H35N5O3S and a molecular weight of 629.79 g/mol. Its IUPAC name is N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide.

Molecular Properties

• Compound Name: N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide
• PubChem CID: 15295812
• Molecular Formula: C37H35N5O3S
• Molecular Weight: 629.79 g/mol
• Exact Mass: 629.25
• IUPAC Name: N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide
• SMILES: CCc1nc2c(C)cc(-c3cn4c(n3)CCCC4)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1
• InChI: InChI=1S/C37H35N5O3S/c1-3-34-39-36-25(2)21-29(31-24-41-20-10-9-15-35(41)38-31)22-32(36)42(34)23-26-16-18-27(19-17-26)30-13-7-8-14-33(30)46(44,45)40-37(43)28-11-5-4-6-12-28/h4-8,11-14,16-19,21-22,24H,3,9-10,15,20,23H2,1-2H3,(H,40,43)
• InChIKey: YGEPQFWIJFHYLW-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.79
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide?

The IUPAC name of N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide (CID 15295812) is N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide.

What is the SMILES notation for N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide?

The canonical SMILES for N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide is CCc1nc2c(C)cc(-c3cn4c(n3)CCCC4)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1.

What is the InChIKey of N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide?

The InChIKey is YGEPQFWIJFHYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N5O3S/c1-3-34-39-36-25(2)21-29(31-24-41-20-10-9-15-35(41)38-31)22-32(36)42(34)23-26-16-18-27(19-17-26)30-13-7-8-14-33(30)46(44,45)40-37(43)28-11-5-4-6-12-28/h4-8,11-14,16-19,21-22,24H,3,9-10,15,20,23H2,1-2H3,(H,40,43).

What are the key properties of N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide?

N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide has a molecular weight of 629.79 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]phenyl]sulfonylbenzamide is sourced from PubChem (CID 15295812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).