2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C19H16FN5O2 — CID 95897263

About 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95897263) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 95897263
• Molecular Formula: C19H16FN5O2
• Molecular Weight: 365.37 g/mol
• Exact Mass: 365.13
• IUPAC Name: 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2nonc2c1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C19H16FN5O2/c20-12-5-7-13-15(10-12)22-18(21-13)17-3-1-2-8-25(17)19(26)11-4-6-14-16(9-11)24-27-23-14/h4-7,9-10,17H,1-3,8H2,(H,21,22)/t17-/m0/s1
• InChIKey: DAKKWVUDMSFIQY-KRWDZBQOSA-N
• XLogP: 3.61
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.37
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 95897263) is 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc2nonc2c1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1.

What is the InChIKey of 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is DAKKWVUDMSFIQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-12-5-7-13-15(10-12)22-18(21-13)17-3-1-2-8-25(17)19(26)11-4-6-14-16(9-11)24-27-23-14/h4-7,9-10,17H,1-3,8H2,(H,21,22)/t17-/m0/s1.

What are the key properties of 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?

2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 365.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95897263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).