2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide

C19H22N4O2 — CID 167867059

About 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide (PubChem CID 167867059) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide
• PubChem CID: 167867059
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide
• SMILES: CC(=O)N1CCc2ccccc2C1CC(=O)Nc1ncc(C2CC2)[nH]1
• InChI: InChI=1S/C19H22N4O2/c1-12(24)23-9-8-13-4-2-3-5-15(13)17(23)10-18(25)22-19-20-11-16(21-19)14-6-7-14/h2-5,11,14,17H,6-10H2,1H3,(H2,20,21,22,25)
• InChIKey: CAORTJDTYUKBAM-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide?

The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide (CID 167867059) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide.

What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide?

The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide is CC(=O)N1CCc2ccccc2C1CC(=O)Nc1ncc(C2CC2)[nH]1.

What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide?

The InChIKey is CAORTJDTYUKBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(24)23-9-8-13-4-2-3-5-15(13)17(23)10-18(25)22-19-20-11-16(21-19)14-6-7-14/h2-5,11,14,17H,6-10H2,1H3,(H2,20,21,22,25).

What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide?

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 167867059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).