1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide

C26H30N4O2 — CID 55858950

About 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 55858950) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 55858950
• Molecular Formula: C26H30N4O2
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.24
• IUPAC Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
• SMILES: Cc1cccc(N2CC(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)CC2=O)c1C
• InChI: InChI=1S/C26H30N4O2/c1-17(2)25-27-11-12-29(25)15-20-8-6-9-22(13-20)28-26(32)21-14-24(31)30(16-21)23-10-5-7-18(3)19(23)4/h5-13,17,21H,14-16H2,1-4H3,(H,28,32)
• InChIKey: IWMMTDOZNUFIEL-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide (CID 55858950) is 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)CC2=O)c1C.

What is the InChIKey of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

The InChIKey is IWMMTDOZNUFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17(2)25-27-11-12-29(25)15-20-8-6-9-22(13-20)28-26(32)21-14-24(31)30(16-21)23-10-5-7-18(3)19(23)4/h5-13,17,21H,14-16H2,1-4H3,(H,28,32).

What are the key properties of 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide?

1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dimethylphenyl)-5-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55858950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).