5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C27H25ClF2N4O2 — CID 146172355

About 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 146172355) has the molecular formula C27H25ClF2N4O2 and a molecular weight of 510.97 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• PubChem CID: 146172355
• Molecular Formula: C27H25ClF2N4O2
• Molecular Weight: 510.97 g/mol
• Exact Mass: 510.16
• IUPAC Name: 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(F)cc3F)c3ccccc32)CC1
• InChI: InChI=1S/C27H25ClF2N4O2/c1-16-21(12-18(28)14-31-16)26(35)32-20-9-6-17(7-10-20)15-33-24-4-2-3-5-25(24)34(27(33)36)23-11-8-19(29)13-22(23)30/h2-5,8,11-14,17,20H,6-7,9-10,15H2,1H3,(H,32,35)
• InChIKey: FNWRGOIAYKZZPW-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 68.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.97
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 146172355) is 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(F)cc3F)c3ccccc32)CC1.

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

The InChIKey is FNWRGOIAYKZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N4O2/c1-16-21(12-18(28)14-31-16)26(35)32-20-9-6-17(7-10-20)15-33-24-4-2-3-5-25(24)34(27(33)36)23-11-8-19(29)13-22(23)30/h2-5,8,11-14,17,20H,6-7,9-10,15H2,1H3,(H,32,35).

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

5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 510.97 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146172355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).