2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide

C28H34FN5O4 — CID 54403179

About 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide

2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide (PubChem CID 54403179) has the molecular formula C28H34FN5O4 and a molecular weight of 523.61 g/mol. Its IUPAC name is 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide
• PubChem CID: 54403179
• Molecular Formula: C28H34FN5O4
• Molecular Weight: 523.61 g/mol
• Exact Mass: 523.26
• IUPAC Name: 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide
• SMILES: CCCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OC4CCCCC4)n3)[nH]2)OC1
• InChI: InChI=1S/C28H34FN5O4/c1-3-14-30-26(35)28(2)16-36-25(37-17-28)24-33-22(18-9-11-19(29)12-10-18)23(34-24)21-13-15-31-27(32-21)38-20-7-5-4-6-8-20/h9-13,15,20,25H,3-8,14,16-17H2,1-2H3,(H,30,35)(H,33,34)
• InChIKey: VOWOWSCFTBDJHC-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 111.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.61
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?

The IUPAC name of 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide (CID 54403179) is 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide.

What is the SMILES notation for 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?

The canonical SMILES for 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide is CCCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OC4CCCCC4)n3)[nH]2)OC1.

What is the InChIKey of 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?

The InChIKey is VOWOWSCFTBDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O4/c1-3-14-30-26(35)28(2)16-36-25(37-17-28)24-33-22(18-9-11-19(29)12-10-18)23(34-24)21-13-15-31-27(32-21)38-20-7-5-4-6-8-20/h9-13,15,20,25H,3-8,14,16-17H2,1-2H3,(H,30,35)(H,33,34).

What are the key properties of 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide?

2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide has a molecular weight of 523.61 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 54403179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).