2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide

C17H21FN4O3 — CID 90649450

About 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide

2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide (PubChem CID 90649450) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide
• PubChem CID: 90649450
• Molecular Formula: C17H21FN4O3
• Molecular Weight: 348.38 g/mol
• Exact Mass: 348.16
• IUPAC Name: 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide
• SMILES: CN(CC1CC(=O)N(C)C1)C(=O)COCc1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C17H21FN4O3/c1-21-7-11(5-16(21)23)8-22(2)17(24)10-25-9-15-19-13-4-3-12(18)6-14(13)20-15/h3-4,6,11H,5,7-10H2,1-2H3,(H,19,20)
• InChIKey: OFJQBVMIHPVZJR-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.38
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide?

The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide (CID 90649450) is 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide.

What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide?

The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide is CN(CC1CC(=O)N(C)C1)C(=O)COCc1nc2ccc(F)cc2[nH]1.

What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide?

The InChIKey is OFJQBVMIHPVZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-21-7-11(5-16(21)23)8-22(2)17(24)10-25-9-15-19-13-4-3-12(18)6-14(13)20-15/h3-4,6,11H,5,7-10H2,1-2H3,(H,19,20).

What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide?

2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide has a molecular weight of 348.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 90649450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).