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

C24H29N7O — CID 18384391

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

1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384391) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 18384391
• Molecular Formula: C24H29N7O
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.24
• IUPAC Name: 1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCCCc1c(C)n(CC)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C24H29N7O/c1-4-6-7-10-21-17(3)30(5-2)24(32)31(21)16-18-11-13-19(14-12-18)20-9-8-15-25-22(20)23-26-28-29-27-23/h8-9,11-15H,4-7,10,16H2,1-3H3,(H,26,27,28,29)
• InChIKey: LGNDHWUHJYRHBN-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	4.00
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-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one?

The IUPAC name of 1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384391) is 1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is CCCCCc1c(C)n(CC)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1.

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

The InChIKey is LGNDHWUHJYRHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-4-6-7-10-21-17(3)30(5-2)24(32)31(21)16-18-11-13-19(14-12-18)20-9-8-15-25-22(20)23-26-28-29-27-23/h8-9,11-15H,4-7,10,16H2,1-3H3,(H,26,27,28,29).

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

1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 431.54 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-5-methyl-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).