5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C29H25ClF2N6O3 — CID 146173056

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

5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146173056) has the molecular formula C29H25ClF2N6O3 and a molecular weight of 579.01 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 146173056
• Molecular Formula: C29H25ClF2N6O3
• Molecular Weight: 579.01 g/mol
• Exact Mass: 578.16
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(Cn2c(=O)n(-c3cncc(-c4ncco4)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C29H25ClF2N6O3/c30-19-12-22(25(26(31)32)35-14-19)27(39)36-20-7-5-17(6-8-20)16-37-23-3-1-2-4-24(23)38(29(37)40)21-11-18(13-33-15-21)28-34-9-10-41-28/h1-4,9-15,17,20,26H,5-8,16H2,(H,36,39)
• InChIKey: QHNQJBOPZAPIID-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 107.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.01
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146173056) is 5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(Cn2c(=O)n(-c3cncc(-c4ncco4)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.

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

The InChIKey is QHNQJBOPZAPIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF2N6O3/c30-19-12-22(25(26(31)32)35-14-19)27(39)36-20-7-5-17(6-8-20)16-37-23-3-1-2-4-24(23)38(29(37)40)21-11-18(13-33-15-21)28-34-9-10-41-28/h1-4,9-15,17,20,26H,5-8,16H2,(H,36,39).

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

5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 579.01 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146173056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).