4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one

C25H30ClN7O — CID 10184295

About 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one

4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 10184295) has the molecular formula C25H30ClN7O and a molecular weight of 480.02 g/mol. Its IUPAC name is 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 10184295
• Molecular Formula: C25H30ClN7O
• Molecular Weight: 480.02 g/mol
• Exact Mass: 479.22
• IUPAC Name: 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCCCn1c(Cl)c(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cn2)c1=O
• InChI: InChI=1S/C25H30ClN7O/c1-3-5-9-15-32-23(26)22(12-6-4-2)33(25(32)34)17-19-14-13-18(16-27-19)20-10-7-8-11-21(20)24-28-30-31-29-24/h7-8,10-11,13-14,16H,3-6,9,12,15,17H2,1-2H3,(H,28,29,30,31)
• InChIKey: YEOBVSLFAFVKRI-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.02
LogP ≤ 5	5.13
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 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?

The IUPAC name of 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 10184295) is 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

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

The canonical SMILES for 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCCCn1c(Cl)c(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cn2)c1=O.

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

The InChIKey is YEOBVSLFAFVKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN7O/c1-3-5-9-15-32-23(26)22(12-6-4-2)33(25(32)34)17-19-14-13-18(16-27-19)20-10-7-8-11-21(20)24-28-30-31-29-24/h7-8,10-11,13-14,16H,3-6,9,12,15,17H2,1-2H3,(H,28,29,30,31).

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

4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 480.02 g/mol, XLogP of 5.13, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 10184295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).