1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one

C32H36N6O2 — CID 22566803

About 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one

1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one (PubChem CID 22566803) has the molecular formula C32H36N6O2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 22566803
• Molecular Formula: C32H36N6O2
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.29
• IUPAC Name: 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCCCc1cn(-c2c(OC)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C32H36N6O2/c1-5-6-7-11-25-21-38(30-26(22(2)3)14-10-15-29(30)40-4)32(39)37(25)20-23-16-18-24(19-17-23)27-12-8-9-13-28(27)31-33-35-36-34-31/h8-10,12-19,21-22H,5-7,11,20H2,1-4H3,(H,33,34,35,36)
• InChIKey: XWTGCGYLSPMFIV-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 90.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

The IUPAC name of 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one (CID 22566803) is 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one.

What is the SMILES notation for 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

The canonical SMILES for 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one is CCCCCc1cn(-c2c(OC)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

The InChIKey is XWTGCGYLSPMFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O2/c1-5-6-7-11-25-21-38(30-26(22(2)3)14-10-15-29(30)40-4)32(39)37(25)20-23-16-18-24(19-17-23)27-12-8-9-13-28(27)31-33-35-36-34-31/h8-10,12-19,21-22H,5-7,11,20H2,1-4H3,(H,33,34,35,36).

What are the key properties of 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one has a molecular weight of 536.68 g/mol, XLogP of 6.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-6-propan-2-ylphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 22566803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).