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

C27H33N7O — CID 18384807

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

1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 18384807) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 18384807
• Molecular Formula: C27H33N7O
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.27
• IUPAC Name: 1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCc1c(C)n(CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
• InChI: InChI=1S/C27H33N7O/c1-3-9-25-19(2)33(17-20-10-5-4-6-11-20)27(35)34(25)18-22-15-14-21(16-28-22)23-12-7-8-13-24(23)26-29-31-32-30-26/h7-8,12-16,20H,3-6,9-11,17-18H2,1-2H3,(H,29,30,31,32)
• InChIKey: KUBOLNRIOBDDDX-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 18384807) is 1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCc1c(C)n(CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.

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

The InChIKey is KUBOLNRIOBDDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-3-9-25-19(2)33(17-20-10-5-4-6-11-20)27(35)34(25)18-22-15-14-21(16-28-22)23-12-7-8-13-24(23)26-29-31-32-30-26/h7-8,12-16,20H,3-6,9-11,17-18H2,1-2H3,(H,29,30,31,32).

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

1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 471.61 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).