N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide

C27H27FN4O2 — CID 17008981

About N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide

N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide (PubChem CID 17008981) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide
• PubChem CID: 17008981
• Molecular Formula: C27H27FN4O2
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.21
• IUPAC Name: N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide
• SMILES: CC(C)N(Cc1ccccc1)C(=O)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21
• InChI: InChI=1S/C27H27FN4O2/c1-19(2)31(17-20-8-4-3-5-9-20)26(33)18-32-24-11-7-6-10-23(24)30-25(32)16-29-27(34)21-12-14-22(28)15-13-21/h3-15,19H,16-18H2,1-2H3,(H,29,34)
• InChIKey: OEKPTWFSTZQTRY-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide?

The IUPAC name of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide (CID 17008981) is N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide.

What is the SMILES notation for N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide?

The canonical SMILES for N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide is CC(C)N(Cc1ccccc1)C(=O)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21.

What is the InChIKey of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide?

The InChIKey is OEKPTWFSTZQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-19(2)31(17-20-8-4-3-5-9-20)26(33)18-32-24-11-7-6-10-23(24)30-25(32)16-29-27(34)21-12-14-22(28)15-13-21/h3-15,19H,16-18H2,1-2H3,(H,29,34).

What are the key properties of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide?

N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 458.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 17008981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).