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

C25H31N7O — CID 67833895

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

4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one (PubChem CID 67833895) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one.

Molecular Properties

• Compound Name: 4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one
• PubChem CID: 67833895
• Molecular Formula: C25H31N7O
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.26
• IUPAC Name: 4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one
• SMILES: CCCCCn1c(C)c(CCCC)n(-c2ccc(-c3ncccc3-c3nn[nH]n3)cc2)c1=O
• InChI: InChI=1S/C25H31N7O/c1-4-6-8-17-31-18(3)22(11-7-5-2)32(25(31)33)20-14-12-19(13-15-20)23-21(10-9-16-26-23)24-27-29-30-28-24/h9-10,12-16H,4-8,11,17H2,1-3H3,(H,27,28,29,30)
• InChIKey: LORKPAFBLIEOJT-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	4.72
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-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one?

The IUPAC name of 4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one (CID 67833895) is 4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one.

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

The canonical SMILES for 4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one is CCCCCn1c(C)c(CCCC)n(-c2ccc(-c3ncccc3-c3nn[nH]n3)cc2)c1=O.

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

The InChIKey is LORKPAFBLIEOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-4-6-8-17-31-18(3)22(11-7-5-2)32(25(31)33)20-14-12-19(13-15-20)23-21(10-9-16-26-23)24-27-29-30-28-24/h9-10,12-16H,4-8,11,17H2,1-3H3,(H,27,28,29,30).

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

4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one has a molecular weight of 445.57 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one is sourced from PubChem (CID 67833895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).