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

C28H33N7O2 — CID 54297706

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

1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 54297706) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 54297706
• Molecular Formula: C28H33N7O2
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.27
• IUPAC Name: 1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCCc1cn(C2C(C(C)=O)C2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
• InChI: InChI=1S/C28H33N7O2/c1-5-6-9-21-16-35(26-24(17(2)3)25(26)18(4)36)28(37)34(21)15-20-13-12-19(14-29-20)22-10-7-8-11-23(22)27-30-32-33-31-27/h7-8,10-14,16-17,24-26H,5-6,9,15H2,1-4H3,(H,30,31,32,33)
• InChIKey: SBYLOVGJDAWSPC-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 111.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 54297706) is 1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(C2C(C(C)=O)C2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.

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

The InChIKey is SBYLOVGJDAWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-5-6-9-21-16-35(26-24(17(2)3)25(26)18(4)36)28(37)34(21)15-20-13-12-19(14-29-20)22-10-7-8-11-23(22)27-30-32-33-31-27/h7-8,10-14,16-17,24-26H,5-6,9,15H2,1-4H3,(H,30,31,32,33).

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

1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 499.62 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-acetyl-3-propan-2-ylcyclopropyl)-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 54297706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).