2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

C25H29FN4O2 — CID 16983128

About 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983128) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16983128
• Molecular Formula: C25H29FN4O2
• Molecular Weight: 436.53 g/mol
• Exact Mass: 436.23
• IUPAC Name: 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: CC1CCN(C(=O)Cn2c(CCCNC(=O)c3ccccc3F)nc3ccccc32)CC1
• InChI: InChI=1S/C25H29FN4O2/c1-18-12-15-29(16-13-18)24(31)17-30-22-10-5-4-9-21(22)28-23(30)11-6-14-27-25(32)19-7-2-3-8-20(19)26/h2-5,7-10,18H,6,11-17H2,1H3,(H,27,32)
• InChIKey: YPOSXMKLAVPYHL-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (CID 16983128) is 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is CC1CCN(C(=O)Cn2c(CCCNC(=O)c3ccccc3F)nc3ccccc32)CC1.

What is the InChIKey of 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is YPOSXMKLAVPYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-18-12-15-29(16-13-18)24(31)17-30-22-10-5-4-9-21(22)28-23(30)11-6-14-27-25(32)19-7-2-3-8-20(19)26/h2-5,7-10,18H,6,11-17H2,1H3,(H,27,32).

What are the key properties of 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).