(4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one

C26H23ClFN3O2 — CID 40852342

About (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one

(4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 40852342) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
• PubChem CID: 40852342
• Molecular Formula: C26H23ClFN3O2
• Molecular Weight: 463.94 g/mol
• Exact Mass: 463.15
• IUPAC Name: (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
• SMILES: CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O
• InChI: InChI=1S/C26H23ClFN3O2/c1-2-33-24-13-6-5-12-23(24)30-15-17(14-25(30)32)26-29-21-10-3-4-11-22(21)31(26)16-18-19(27)8-7-9-20(18)28/h3-13,17H,2,14-16H2,1H3/t17-/m1/s1
• InChIKey: XNEOWFQHLNYLCI-QGZVFWFLSA-N
• XLogP: 5.80
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.94
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one?

The IUPAC name of (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one (CID 40852342) is (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one is CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O.

What is the InChIKey of (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one?

The InChIKey is XNEOWFQHLNYLCI-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c1-2-33-24-13-6-5-12-23(24)30-15-17(14-25(30)32)26-29-21-10-3-4-11-22(21)31(26)16-18-19(27)8-7-9-20(18)28/h3-13,17H,2,14-16H2,1H3/t17-/m1/s1.

What are the key properties of (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one?

(4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 463.94 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40852342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).