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

C25H22IN7O — CID 67810662

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

5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one (PubChem CID 67810662) has the molecular formula C25H22IN7O and a molecular weight of 563.40 g/mol. Its IUPAC name is 5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one.

Molecular Properties

• Compound Name: 5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one
• PubChem CID: 67810662
• Molecular Formula: C25H22IN7O
• Molecular Weight: 563.40 g/mol
• Exact Mass: 563.09
• IUPAC Name: 5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one
• SMILES: CCCc1c(-c2ccccc2I)[nH]c(=O)n1Cc1ccc(-c2cnccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C25H22IN7O/c1-2-5-22-23(19-6-3-4-7-21(19)26)28-25(34)33(22)15-16-8-10-17(11-9-16)20-14-27-13-12-18(20)24-29-31-32-30-24/h3-4,6-14H,2,5,15H2,1H3,(H,28,34)(H,29,30,31,32)
• InChIKey: HLBGDIGNWLRRKL-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 105.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.40
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one (CID 67810662) is 5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one.

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

The canonical SMILES for 5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one is CCCc1c(-c2ccccc2I)[nH]c(=O)n1Cc1ccc(-c2cnccc2-c2nn[nH]n2)cc1.

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

The InChIKey is HLBGDIGNWLRRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22IN7O/c1-2-5-22-23(19-6-3-4-7-21(19)26)28-25(34)33(22)15-16-8-10-17(11-9-16)20-14-27-13-12-18(20)24-29-31-32-30-24/h3-4,6-14H,2,5,15H2,1H3,(H,28,34)(H,29,30,31,32).

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

5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one has a molecular weight of 563.40 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-iodophenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 67810662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).