5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one

C23H21F2N3O3 — CID 72699393

About 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one (PubChem CID 72699393) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one
• PubChem CID: 72699393
• Molecular Formula: C23H21F2N3O3
• Molecular Weight: 425.44 g/mol
• Exact Mass: 425.16
• IUPAC Name: 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one
• SMILES: CCOCc1nc2ccc(-c3ccc(=O)[nH]c3)cc2n1Cc1ccccc1OC(F)F
• InChI: InChI=1S/C23H21F2N3O3/c1-2-30-14-21-27-18-9-7-15(16-8-10-22(29)26-12-16)11-19(18)28(21)13-17-5-3-4-6-20(17)31-23(24)25/h3-12,23H,2,13-14H2,1H3,(H,26,29)
• InChIKey: BTCXVWQTVHYTIJ-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 69.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.44
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

The IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one (CID 72699393) is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one is CCOCc1nc2ccc(-c3ccc(=O)[nH]c3)cc2n1Cc1ccccc1OC(F)F.

What is the InChIKey of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

The InChIKey is BTCXVWQTVHYTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-2-30-14-21-27-18-9-7-15(16-8-10-22(29)26-12-16)11-19(18)28(21)13-17-5-3-4-6-20(17)31-23(24)25/h3-12,23H,2,13-14H2,1H3,(H,26,29).

What are the key properties of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one?

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one has a molecular weight of 425.44 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 72699393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).