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

C27H32FN5O5 — CID 54422258

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

2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide (PubChem CID 54422258) has the molecular formula C27H32FN5O5 and a molecular weight of 525.58 g/mol. Its IUPAC name is 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide
• PubChem CID: 54422258
• Molecular Formula: C27H32FN5O5
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.24
• IUPAC Name: 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide
• SMILES: CC1(C(=O)NCCO)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OC4CCCCC4)n3)[nH]2)OC1
• InChI: InChI=1S/C27H32FN5O5/c1-27(25(35)29-13-14-34)15-36-24(37-16-27)23-32-21(17-7-9-18(28)10-8-17)22(33-23)20-11-12-30-26(31-20)38-19-5-3-2-4-6-19/h7-12,19,24,34H,2-6,13-16H2,1H3,(H,29,35)(H,32,33)
• InChIKey: WBQKFUXSWFAVJN-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 131.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide (CID 54422258) is 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide.

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

The canonical SMILES for 2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide is CC1(C(=O)NCCO)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]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide?

The InChIKey is WBQKFUXSWFAVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O5/c1-27(25(35)29-13-14-34)15-36-24(37-16-27)23-32-21(17-7-9-18(28)10-8-17)22(33-23)20-11-12-30-26(31-20)38-19-5-3-2-4-6-19/h7-12,19,24,34H,2-6,13-16H2,1H3,(H,29,35)(H,32,33).

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

2-[5-(2-cyclohexyloxypyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-2-yl]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide has a molecular weight of 525.58 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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]-N-(2-hydroxyethyl)-5-methyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 54422258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).