5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C28H30ClN5O3 — CID 146172874

About 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 146172874) has the molecular formula C28H30ClN5O3 and a molecular weight of 520.03 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• PubChem CID: 146172874
• Molecular Formula: C28H30ClN5O3
• Molecular Weight: 520.03 g/mol
• Exact Mass: 519.20
• IUPAC Name: 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• SMILES: COc1ccc(-n2c(=O)n(CC3CCC(NC(=O)c4cc(Cl)cnc4C)CC3)c3ccccc32)c(C)n1
• InChI: InChI=1S/C28H30ClN5O3/c1-17-22(14-20(29)15-30-17)27(35)32-21-10-8-19(9-11-21)16-33-24-6-4-5-7-25(24)34(28(33)36)23-12-13-26(37-3)31-18(23)2/h4-7,12-15,19,21H,8-11,16H2,1-3H3,(H,32,35)
• InChIKey: FDSKROPWVHONNO-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.03
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 146172874) is 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is COc1ccc(-n2c(=O)n(CC3CCC(NC(=O)c4cc(Cl)cnc4C)CC3)c3ccccc32)c(C)n1.

What is the InChIKey of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

The InChIKey is FDSKROPWVHONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O3/c1-17-22(14-20(29)15-30-17)27(35)32-21-10-8-19(9-11-21)16-33-24-6-4-5-7-25(24)34(28(33)36)23-12-13-26(37-3)31-18(23)2/h4-7,12-15,19,21H,8-11,16H2,1-3H3,(H,32,35).

What are the key properties of 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 520.03 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146172874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).