N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide

C24H22ClN3O2 — CID 25406903

About N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide (PubChem CID 25406903) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
• PubChem CID: 25406903
• Molecular Formula: C24H22ClN3O2
• Molecular Weight: 419.91 g/mol
• Exact Mass: 419.14
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
• SMILES: O=C(Cc1nc2ccccc2n1C[C@H](O)c1ccccc1)NCc1ccc(Cl)cc1
• InChI: InChI=1S/C24H22ClN3O2/c25-19-12-10-17(11-13-19)15-26-24(30)14-23-27-20-8-4-5-9-21(20)28(23)16-22(29)18-6-2-1-3-7-18/h1-13,22,29H,14-16H2,(H,26,30)/t22-/m0/s1
• InChIKey: SZRBKJLHKBNFAJ-QFIPXVFZSA-N
• XLogP: 4.28
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.91
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide (CID 25406903) is N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide is O=C(Cc1nc2ccccc2n1C[C@H](O)c1ccccc1)NCc1ccc(Cl)cc1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide?

The InChIKey is SZRBKJLHKBNFAJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-19-12-10-17(11-13-19)15-26-24(30)14-23-27-20-8-4-5-9-21(20)28(23)16-22(29)18-6-2-1-3-7-18/h1-13,22,29H,14-16H2,(H,26,30)/t22-/m0/s1.

What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide?

N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide has a molecular weight of 419.91 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 25406903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).