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

C23H27N7O — CID 18384240

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

1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384240) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 18384240
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCc1cn(CC(C)C)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C23H27N7O/c1-4-6-19-15-29(13-16(2)3)23(31)30(19)14-17-8-10-18(11-9-17)21-20(7-5-12-24-21)22-25-27-28-26-22/h5,7-12,15-16H,4,6,13-14H2,1-3H3,(H,25,26,27,28)
• InChIKey: LMBYSBMKKUSTCJ-UHFFFAOYSA-N
• XLogP: 3.55
• 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	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384240) is 1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1cn(CC(C)C)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1.

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

The InChIKey is LMBYSBMKKUSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-6-19-15-29(13-16(2)3)23(31)30(19)14-17-8-10-18(11-9-17)21-20(7-5-12-24-21)22-25-27-28-26-22/h5,7-12,15-16H,4,6,13-14H2,1-3H3,(H,25,26,27,28).

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

1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).