(E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid

C23H22F2N2O4 — CID 14975618

IUPAC(E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1/C=C/C(O)CC(O)CC(=O)O
InChIInChI=1S/C23H22F2N2O4/c1-14-26-22(15-2-6-17(24)7-3-15)23(16-4-8-18(25)9-5-16)27(14)11-10-19(28)12-20(29)13-21(30)31/h2-11,19-20,28-29H,12-13H2,1H3,(H,30,31)/b11-10+
InChIKeyBEKYROJJVQTUPM-ZHACJKMWSA-N
MW428.44 g/mol
LogP3.86
Rot. Bonds8

About (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid

(E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid (PubChem CID 14975618) has the molecular formula C23H22F2N2O4 and a molecular weight of 428.44 g/mol. Its IUPAC name is (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid.

Molecular Properties

Compound Name(E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
PubChem CID14975618
Molecular FormulaC23H22F2N2O4
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name(E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1/C=C/C(O)CC(O)CC(=O)O
InChIInChI=1S/C23H22F2N2O4/c1-14-26-22(15-2-6-17(24)7-3-15)23(16-4-8-18(25)9-5-16)27(14)11-10-19(28)12-20(29)13-21(30)31/h2-11,19-20,28-29H,12-13H2,1H3,(H,30,31)/b11-10+
InChIKeyBEKYROJJVQTUPM-ZHACJKMWSA-N
XLogP3.86
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 57274137
(E)-7-[2-tert-butyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;ethane
CID 143450704
(E)-7-[4-[3-(dimethylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67942712
(3S,5R)-7-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 68917829
7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 73218575
(E)-7-[4-[3-(cyclohexylamino)phenyl]-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67942717
(E)-7-[2-(4-fluorophenyl)-4,7-di(propan-2-yl)pyrrolo[1,2-b]pyridazin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67920882
methyl (E)-7-[2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyhept-6-enoate
CID 14968168
methyl (E,5S)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-5-hydroxy-3-oxohept-6-enoate
CID 14849791
(3R,5R)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyhept-6-enoic acid
CID 57168838
(E,3R,5S)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyhept-6-enoic acid
CID 15748319
(E)-7-[2-(4-fluorophenyl)-5,7-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67920910

Frequently Asked Questions

What is the IUPAC name of (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?
The IUPAC name of (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid (CID 14975618) is (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid.
What is the SMILES notation for (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?
The canonical SMILES for (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid is Cc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1/C=C/C(O)CC(O)CC(=O)O.
What is the InChIKey of (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?
The InChIKey is BEKYROJJVQTUPM-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H22F2N2O4/c1-14-26-22(15-2-6-17(24)7-3-15)23(16-4-8-18(25)9-5-16)27(14)11-10-19(28)12-20(29)13-21(30)31/h2-11,19-20,28-29H,12-13H2,1H3,(H,30,31)/b11-10+.
What are the key properties of (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid?
(E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid has a molecular weight of 428.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4,5-bis(4-fluorophenyl)-2-methylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid is sourced from PubChem (CID 14975618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).