(E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid

C27H32FN3O4 — CID 67942712

About (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid

(E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid (PubChem CID 67942712) has the molecular formula C27H32FN3O4 and a molecular weight of 481.57 g/mol. Its IUPAC name is (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid.

Molecular Properties

• Compound Name: (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
• PubChem CID: 67942712
• Molecular Formula: C27H32FN3O4
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.24
• IUPAC Name: (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
• SMILES: CC(C)c1nc(-c2cccc(N(C)C)c2)c(-c2ccc(F)cc2)n1/C=C/C(O)CC(O)CC(=O)O
• InChI: InChI=1S/C27H32FN3O4/c1-17(2)27-29-25(19-6-5-7-21(14-19)30(3)4)26(18-8-10-20(28)11-9-18)31(27)13-12-22(32)15-23(33)16-24(34)35/h5-14,17,22-23,32-33H,15-16H2,1-4H3,(H,34,35)/b13-12+
• InChIKey: GFGAQMNSNPBFBW-OUKQBFOZSA-N
• XLogP: 4.60
• TPSA: 98.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?

The IUPAC name of (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid (CID 67942712) is (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid.

What is the SMILES notation for (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?

The canonical SMILES for (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid is CC(C)c1nc(-c2cccc(N(C)C)c2)c(-c2ccc(F)cc2)n1/C=C/C(O)CC(O)CC(=O)O.

What is the InChIKey of (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?

The InChIKey is GFGAQMNSNPBFBW-OUKQBFOZSA-N. The full InChI is InChI=1S/C27H32FN3O4/c1-17(2)27-29-25(19-6-5-7-21(14-19)30(3)4)26(18-8-10-20(28)11-9-18)31(27)13-12-22(32)15-23(33)16-24(34)35/h5-14,17,22-23,32-33H,15-16H2,1-4H3,(H,34,35)/b13-12+.

What are the key properties of (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?

(E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid has a molecular weight of 481.57 g/mol, XLogP of 4.60, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid is sourced from PubChem (CID 67942712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).