2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one

C22H23N3O3 — CID 124756310

About 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one

2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 124756310) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

• Compound Name: 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
• PubChem CID: 124756310
• Molecular Formula: C22H23N3O3
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.17
• IUPAC Name: 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
• SMILES: Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(C)cccc3[nH]1)C(=O)CCC2
• InChI: InChI=1S/C22H23N3O3/c1-12-6-3-7-14-20(12)24-21(23-14)15-8-5-11-25(15)22(27)18-13(2)28-17-10-4-9-16(26)19(17)18/h3,6-7,15H,4-5,8-11H2,1-2H3,(H,23,24)/t15-/m1/s1
• InChIKey: SKCNCRUATLOJGD-OAHLLOKOSA-N
• XLogP: 4.27
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?

The IUPAC name of 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one (CID 124756310) is 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one.

What is the SMILES notation for 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?

The canonical SMILES for 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one is Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(C)cccc3[nH]1)C(=O)CCC2.

What is the InChIKey of 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?

The InChIKey is SKCNCRUATLOJGD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-12-6-3-7-14-20(12)24-21(23-14)15-8-5-11-25(15)22(27)18-13(2)28-17-10-4-9-16(26)19(17)18/h3,6-7,15H,4-5,8-11H2,1-2H3,(H,23,24)/t15-/m1/s1.

What are the key properties of 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?

2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 377.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 124756310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).