5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C30H29ClN6O3 — CID 146172743

About 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172743) has the molecular formula C30H29ClN6O3 and a molecular weight of 557.05 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 146172743
• Molecular Formula: C30H29ClN6O3
• Molecular Weight: 557.05 g/mol
• Exact Mass: 556.20
• IUPAC Name: 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: Cc1nc(-c2cccc(-n3c(=O)n(CC4CCC(NC(=O)c5cc(Cl)cnc5C)CC4)c4ccccc43)c2)no1
• InChI: InChI=1S/C30H29ClN6O3/c1-18-25(15-22(31)16-32-18)29(38)34-23-12-10-20(11-13-23)17-36-26-8-3-4-9-27(26)37(30(36)39)24-7-5-6-21(14-24)28-33-19(2)40-35-28/h3-9,14-16,20,23H,10-13,17H2,1-2H3,(H,34,38)
• InChIKey: AGCJUWYZZDWLIB-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 107.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.05
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172743) is 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is Cc1nc(-c2cccc(-n3c(=O)n(CC4CCC(NC(=O)c5cc(Cl)cnc5C)CC4)c4ccccc43)c2)no1.

What is the InChIKey of 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is AGCJUWYZZDWLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN6O3/c1-18-25(15-22(31)16-32-18)29(38)34-23-12-10-20(11-13-23)17-36-26-8-3-4-9-27(26)37(30(36)39)24-7-5-6-21(14-24)28-33-19(2)40-35-28/h3-9,14-16,20,23H,10-13,17H2,1-2H3,(H,34,38).

What are the key properties of 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 557.05 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).