N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide

C27H35FN4O2 — CID 16990047

About N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide

N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide (PubChem CID 16990047) has the molecular formula C27H35FN4O2 and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
• PubChem CID: 16990047
• Molecular Formula: C27H35FN4O2
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.27
• IUPAC Name: N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
• SMILES: CC(C)N(C(=O)Cn1c(CCCCCNC(=O)c2ccccc2F)nc2ccccc21)C(C)C
• InChI: InChI=1S/C27H35FN4O2/c1-19(2)32(20(3)4)26(33)18-31-24-15-10-9-14-23(24)30-25(31)16-6-5-11-17-29-27(34)21-12-7-8-13-22(21)28/h7-10,12-15,19-20H,5-6,11,16-18H2,1-4H3,(H,29,34)
• InChIKey: PDQBZNRCTQKWSI-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.60
LogP ≤ 5	4.96
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 N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?

The IUPAC name of N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide (CID 16990047) is N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide.

What is the SMILES notation for N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?

The canonical SMILES for N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide is CC(C)N(C(=O)Cn1c(CCCCCNC(=O)c2ccccc2F)nc2ccccc21)C(C)C.

What is the InChIKey of N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?

The InChIKey is PDQBZNRCTQKWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2/c1-19(2)32(20(3)4)26(33)18-31-24-15-10-9-14-23(24)30-25(31)16-6-5-11-17-29-27(34)21-12-7-8-13-22(21)28/h7-10,12-15,19-20H,5-6,11,16-18H2,1-4H3,(H,29,34).

What are the key properties of N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide?

N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide has a molecular weight of 466.60 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide is sourced from PubChem (CID 16990047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).