1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C20H20FN5O — CID 25284756

About 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 25284756) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
• PubChem CID: 25284756
• Molecular Formula: C20H20FN5O
• Molecular Weight: 365.41 g/mol
• Exact Mass: 365.17
• IUPAC Name: 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
• SMILES: CN(Cc1nc2ccc(F)cc2[nH]1)Cc1nc(CCc2ccccc2)no1
• InChI: InChI=1S/C20H20FN5O/c1-26(12-19-22-16-9-8-15(21)11-17(16)23-19)13-20-24-18(25-27-20)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,22,23)
• InChIKey: ZTMBVQHKJUFOHH-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.41
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?

The IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 25284756) is 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

What is the SMILES notation for 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?

The canonical SMILES for 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CN(Cc1nc2ccc(F)cc2[nH]1)Cc1nc(CCc2ccccc2)no1.

What is the InChIKey of 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?

The InChIKey is ZTMBVQHKJUFOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-26(12-19-22-16-9-8-15(21)11-17(16)23-19)13-20-24-18(25-27-20)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,22,23).

What are the key properties of 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?

1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 365.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 25284756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).