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

C27H26ClF2N5O2 — CID 146181074

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

5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 146181074) has the molecular formula C27H26ClF2N5O2 and a molecular weight of 525.99 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• PubChem CID: 146181074
• Molecular Formula: C27H26ClF2N5O2
• Molecular Weight: 525.99 g/mol
• Exact Mass: 525.17
• IUPAC Name: 5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C(F)F)nc3)c3ccccc32)CC1
• InChI: InChI=1S/C27H26ClF2N5O2/c1-16-21(12-18(28)13-31-16)26(36)33-19-8-6-17(7-9-19)15-34-23-4-2-3-5-24(23)35(27(34)37)20-10-11-22(25(29)30)32-14-20/h2-5,10-14,17,19,25H,6-9,15H2,1H3,(H,33,36)
• InChIKey: CFJAVETVWVQSDG-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.99
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 146181074) is 5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C(F)F)nc3)c3ccccc32)CC1.

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

The InChIKey is CFJAVETVWVQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N5O2/c1-16-21(12-18(28)13-31-16)26(36)33-19-8-6-17(7-9-19)15-34-23-4-2-3-5-24(23)35(27(34)37)20-10-11-22(25(29)30)32-14-20/h2-5,10-14,17,19,25H,6-9,15H2,1H3,(H,33,36).

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

5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 525.99 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146181074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).