(4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C28H29N3O — CID 7010817

About (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

(4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 7010817) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 7010817
• Molecular Formula: C28H29N3O
• Molecular Weight: 423.56 g/mol
• Exact Mass: 423.23
• IUPAC Name: (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1
• InChI: InChI=1S/C28H29N3O/c1-19(2)22-13-11-21(12-14-22)17-31-26-10-5-4-9-25(26)29-28(31)23-16-27(32)30(18-23)24-8-6-7-20(3)15-24/h4-15,19,23H,16-18H2,1-3H3/t23-/m0/s1
• InChIKey: SGVFULCLTGVTDA-QHCPKHFHSA-N
• XLogP: 6.04
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.56
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 7010817) is (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1.

What is the InChIKey of (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is SGVFULCLTGVTDA-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H29N3O/c1-19(2)22-13-11-21(12-14-22)17-31-26-10-5-4-9-25(26)29-28(31)23-16-27(32)30(18-23)24-8-6-7-20(3)15-24/h4-15,19,23H,16-18H2,1-3H3/t23-/m0/s1.

What are the key properties of (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?

(4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 423.56 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 7010817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).