N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

C13H13FN6O2 — CID 137094516

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (PubChem CID 137094516) has the molecular formula C13H13FN6O2 and a molecular weight of 304.29 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
• PubChem CID: 137094516
• Molecular Formula: C13H13FN6O2
• Molecular Weight: 304.29 g/mol
• Exact Mass: 304.11
• IUPAC Name: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
• SMILES: CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)Cc1n[nH]c(=O)[nH]1
• InChI: InChI=1S/C13H13FN6O2/c1-20(12(21)5-10-17-13(22)19-18-10)6-11-15-8-3-2-7(14)4-9(8)16-11/h2-4H,5-6H2,1H3,(H,15,16)(H2,17,18,19,22)
• InChIKey: MOFPUPVRECAIIZ-UHFFFAOYSA-N
• XLogP: 0.31
• TPSA: 110.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.29
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?

The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide (CID 137094516) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide.

What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?

The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)Cc1n[nH]c(=O)[nH]1.

What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?

The InChIKey is MOFPUPVRECAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O2/c1-20(12(21)5-10-17-13(22)19-18-10)6-11-15-8-3-2-7(14)4-9(8)16-11/h2-4H,5-6H2,1H3,(H,15,16)(H2,17,18,19,22).

What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide?

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide has a molecular weight of 304.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 137094516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).