1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one

C27H24ClN7O2 — CID 54148410

About 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one

1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 54148410) has the molecular formula C27H24ClN7O2 and a molecular weight of 513.99 g/mol. Its IUPAC name is 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 54148410
• Molecular Formula: C27H24ClN7O2
• Molecular Weight: 513.99 g/mol
• Exact Mass: 513.17
• IUPAC Name: 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCc1cn(-c2c(Cl)cccc2C(C)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
• InChI: InChI=1S/C27H24ClN7O2/c1-3-7-20-16-35(25-21(17(2)36)10-6-11-24(25)28)27(37)34(20)15-19-13-12-18(14-29-19)22-8-4-5-9-23(22)26-30-32-33-31-26/h4-6,8-14,16H,3,7,15H2,1-2H3,(H,30,31,32,33)
• InChIKey: OFZTUCFRWRYLLZ-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 111.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.99
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?

The IUPAC name of 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 54148410) is 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

What is the SMILES notation for 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?

The canonical SMILES for 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCc1cn(-c2c(Cl)cccc2C(C)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.

What is the InChIKey of 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?

The InChIKey is OFZTUCFRWRYLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O2/c1-3-7-20-16-35(25-21(17(2)36)10-6-11-24(25)28)27(37)34(20)15-19-13-12-18(14-29-19)22-8-4-5-9-23(22)26-30-32-33-31-26/h4-6,8-14,16H,3,7,15H2,1-2H3,(H,30,31,32,33).

What are the key properties of 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?

1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 513.99 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 54148410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).