5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C29H28ClF2N7O3 — CID 146172600

About 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172600) has the molecular formula C29H28ClF2N7O3 and a molecular weight of 596.04 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 146172600
• Molecular Formula: C29H28ClF2N7O3
• Molecular Weight: 596.04 g/mol
• Exact Mass: 595.19
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(Cn2c(=O)n(-c3cccc(N4CCNC4=O)n3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C29H28ClF2N7O3/c30-18-14-20(25(26(31)32)34-15-18)27(40)35-19-10-8-17(9-11-19)16-38-21-4-1-2-5-22(21)39(29(38)42)24-7-3-6-23(36-24)37-13-12-33-28(37)41/h1-7,14-15,17,19,26H,8-13,16H2,(H,33,41)(H,35,40)
• InChIKey: JNTHWZQEPGKSGN-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 114.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.04
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172600) is 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(Cn2c(=O)n(-c3cccc(N4CCNC4=O)n3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.

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

The InChIKey is JNTHWZQEPGKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF2N7O3/c30-18-14-20(25(26(31)32)34-15-18)27(40)35-19-10-8-17(9-11-19)16-38-21-4-1-2-5-22(21)39(29(38)42)24-7-3-6-23(36-24)37-13-12-33-28(37)41/h1-7,14-15,17,19,26H,8-13,16H2,(H,33,41)(H,35,40).

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

5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 596.04 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).