2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C18H23N3O3 — CID 125174679

About 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 125174679) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
• PubChem CID: 125174679
• Molecular Formula: C18H23N3O3
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.17
• IUPAC Name: 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2c(c1C(=O)N[C@H](c1nccn1C)C(C)C)C(=O)CCC2
• InChI: InChI=1S/C18H23N3O3/c1-10(2)16(17-19-8-9-21(17)4)20-18(23)14-11(3)24-13-7-5-6-12(22)15(13)14/h8-10,16H,5-7H2,1-4H3,(H,20,23)/t16-/m0/s1
• InChIKey: GMNGKLAKDKDXRL-INIZCTEOSA-N
• XLogP: 2.97
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

The IUPAC name of 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 125174679) is 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)N[C@H](c1nccn1C)C(C)C)C(=O)CCC2.

What is the InChIKey of 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

The InChIKey is GMNGKLAKDKDXRL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10(2)16(17-19-8-9-21(17)4)20-18(23)14-11(3)24-13-7-5-6-12(22)15(13)14/h8-10,16H,5-7H2,1-4H3,(H,20,23)/t16-/m0/s1.

What are the key properties of 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?

2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 125174679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).