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

C23H27N7O — CID 18384558

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

5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384558) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 18384558
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCc1c(C)n(CCC)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C23H27N7O/c1-4-7-20-16(3)29(14-5-2)23(31)30(20)15-17-9-11-18(12-10-17)19-8-6-13-24-21(19)22-25-27-28-26-22/h6,8-13H,4-5,7,14-15H2,1-3H3,(H,25,26,27,28)
• InChIKey: AIIZQJIQJLSNQI-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384558) is 5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one.

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

The canonical SMILES for 5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1c(C)n(CCC)c(=O)n1Cc1ccc(-c2cccnc2-c2nn[nH]n2)cc1.

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

The InChIKey is AIIZQJIQJLSNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-7-20-16(3)29(14-5-2)23(31)30(20)15-17-9-11-18(12-10-17)19-8-6-13-24-21(19)22-25-27-28-26-22/h6,8-13H,4-5,7,14-15H2,1-3H3,(H,25,26,27,28).

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

5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1,4-dipropyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).