sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate

C23H21F4N2NaO4 — CID 23712498

IUPACsodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
SMILESO=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1.[Na+]
InChIInChI=1S/C23H22F4N2O4.Na/c24-16-8-6-14(7-9-16)20-21(15-4-2-1-3-5-15)29(22(28-20)23(25,26)27)11-10-17(30)12-18(31)13-19(32)33;/h1-9,17-18,30-31H,10-13H2,(H,32,33);/q;+1/p-1/t17-,18-;/m1./s1
InChIKeySAPNCLMOHOSTLD-JAXOOIEVSA-M
MW488.41 g/mol
LogP0.02
Rot. Bonds9

About sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate

sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate (PubChem CID 23712498) has the molecular formula C23H21F4N2NaO4 and a molecular weight of 488.41 g/mol. Its IUPAC name is sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate.

Molecular Properties

Compound Namesodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
PubChem CID23712498
Molecular FormulaC23H21F4N2NaO4
Molecular Weight488.41 g/mol
Exact Mass488.13
IUPAC Namesodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
SMILESO=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1.[Na+]
InChIInChI=1S/C23H22F4N2O4.Na/c24-16-8-6-14(7-9-16)20-21(15-4-2-1-3-5-15)29(22(28-20)23(25,26)27)11-10-17(30)12-18(31)13-19(32)33;/h1-9,17-18,30-31H,10-13H2,(H,32,33);/q;+1/p-1/t17-,18-;/m1./s1
InChIKeySAPNCLMOHOSTLD-JAXOOIEVSA-M
XLogP0.02
TPSA98.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3r,5r)-7-[4-(Benzylcarbamoyl)-2-(4-Fluorophenyl)-5-(1-Methylethyl)-1h-Imidazol-1-Yl]-3,5-Dihydroxyheptanoic Acid
CID 11612975
(3R,5R,6E)-7-[4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14849849
ethyl 7-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]heptanoate
CID 25190480
(3R,5R)-7-[2-(benzylcarbamoyl)-4-(4-fluorophenyl)-1-(propan-2-yl)-1H-imidazol-5-yl]-3,5-dihydroxyheptanoic acid
CID 11271941
7-[4,5-Bis-(4-fluoro-phenyl)-2-isopropyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid
CID 14849847
sodium (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoate
CID 23687339
sodium (3R,5R)-7-[4-(benzylcarbamoyl)-5-cyclopropyl-2-(4-fluorophenyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 54582211
PMID8246233C5ab
CID 44347339
Pmid8246233C28
CID 44347391
(E)-(3R,5S)-7-[2,4-Bis-(4-fluoro-phenyl)-5-isopropyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid anion
CID 44392511
Sodium; 7-[3-(4-fluoro-phenyl)-5-isopropyl-2-phenyl-3H-imidazol-4-yl]-3,5-dihydroxy-hept-6-enoate
CID 56947031
(3R,5R)-7-[4-(benzylcarbamoyl)-2-(3,4-difluorophenyl)-5-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
CID 24901661

Frequently Asked Questions

What is the IUPAC name of sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate?
The IUPAC name of sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate (CID 23712498) is sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate.
What is the SMILES notation for sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate?
The canonical SMILES for sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate is O=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccccc1.[Na+].
What is the InChIKey of sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate?
The InChIKey is SAPNCLMOHOSTLD-JAXOOIEVSA-M. The full InChI is InChI=1S/C23H22F4N2O4.Na/c24-16-8-6-14(7-9-16)20-21(15-4-2-1-3-5-15)29(22(28-20)23(25,26)27)11-10-17(30)12-18(31)13-19(32)33;/h1-9,17-18,30-31H,10-13H2,(H,32,33);/q;+1/p-1/t17-,18-;/m1./s1.
What are the key properties of sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate?
sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate has a molecular weight of 488.41 g/mol, XLogP of 0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3R,5R)-7-[4-(4-fluorophenyl)-5-phenyl-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoate is sourced from PubChem (CID 23712498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).