1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C28H28ClN3O — CID 18889228

About 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889228) has the molecular formula C28H28ClN3O and a molecular weight of 458.01 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 18889228
• Molecular Formula: C28H28ClN3O
• Molecular Weight: 458.01 g/mol
• Exact Mass: 457.19
• IUPAC Name: 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: Cc1cc(C)c(C)c(Cn2c(C3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)c1C
• InChI: InChI=1S/C28H28ClN3O/c1-17-12-18(2)20(4)24(19(17)3)16-32-26-11-6-5-10-25(26)30-28(32)21-13-27(33)31(15-21)23-9-7-8-22(29)14-23/h5-12,14,21H,13,15-16H2,1-4H3
• InChIKey: OKZRXZICGHEAAR-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.01
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 18889228) is 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1cc(C)c(C)c(Cn2c(C3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)c1C.

What is the InChIKey of 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is OKZRXZICGHEAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O/c1-17-12-18(2)20(4)24(19(17)3)16-32-26-11-6-5-10-25(26)30-28(32)21-13-27(33)31(15-21)23-9-7-8-22(29)14-23/h5-12,14,21H,13,15-16H2,1-4H3.

What are the key properties of 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 458.01 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).