2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

C27H33FN4O2 — CID 16990062

About 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990062) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16990062
• Molecular Formula: C27H33FN4O2
• Molecular Weight: 464.59 g/mol
• Exact Mass: 464.26
• IUPAC Name: 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: CC1CCCCN1C(=O)Cn1c(CCCCCNC(=O)c2ccccc2F)nc2ccccc21
• InChI: InChI=1S/C27H33FN4O2/c1-20-11-8-10-18-31(20)26(33)19-32-24-15-7-6-14-23(24)30-25(32)16-3-2-9-17-29-27(34)21-12-4-5-13-22(21)28/h4-7,12-15,20H,2-3,8-11,16-19H2,1H3,(H,29,34)
• InChIKey: VDGCLAGCUJXUPI-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	4.72
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-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16990062) is 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is CC1CCCCN1C(=O)Cn1c(CCCCCNC(=O)c2ccccc2F)nc2ccccc21.

What is the InChIKey of 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The InChIKey is VDGCLAGCUJXUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c1-20-11-8-10-18-31(20)26(33)19-32-24-15-7-6-14-23(24)30-25(32)16-3-2-9-17-29-27(34)21-12-4-5-13-22(21)28/h4-7,12-15,20H,2-3,8-11,16-19H2,1H3,(H,29,34).

What are the key properties of 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).