(3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid

C25H26F4N2O4 — CID 14975548

IUPAC(3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESCc1cc(C)cc(-c2nc(C(F)(F)F)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H26F4N2O4/c1-14-9-15(2)11-17(10-14)22-23(16-3-5-18(26)6-4-16)31(24(30-22)25(27,28)29)8-7-19(32)12-20(33)13-21(34)35/h3-6,9-11,19-20,32-33H,7-8,12-13H2,1-2H3,(H,34,35)/t19-,20-/m1/s1
InChIKeyHQPXQLIRVAMCMS-WOJBJXKFSA-N
MW494.49 g/mol
LogP4.97
Rot. Bonds9

About (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 14975548) has the molecular formula C25H26F4N2O4 and a molecular weight of 494.49 g/mol. Its IUPAC name is (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name(3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid
PubChem CID14975548
Molecular FormulaC25H26F4N2O4
Molecular Weight494.49 g/mol
Exact Mass494.18
IUPAC Name(3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESCc1cc(C)cc(-c2nc(C(F)(F)F)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H26F4N2O4/c1-14-9-15(2)11-17(10-14)22-23(16-3-5-18(26)6-4-16)31(24(30-22)25(27,28)29)8-7-19(32)12-20(33)13-21(34)35/h3-6,9-11,19-20,32-33H,7-8,12-13H2,1-2H3,(H,34,35)/t19-,20-/m1/s1
InChIKeyHQPXQLIRVAMCMS-WOJBJXKFSA-N
XLogP4.97
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid (CID 14975548) is (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid is Cc1cc(C)cc(-c2nc(C(F)(F)F)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)c1.
What is the InChIKey of (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is HQPXQLIRVAMCMS-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H26F4N2O4/c1-14-9-15(2)11-17(10-14)22-23(16-3-5-18(26)6-4-16)31(24(30-22)25(27,28)29)8-7-19(32)12-20(33)13-21(34)35/h3-6,9-11,19-20,32-33H,7-8,12-13H2,1-2H3,(H,34,35)/t19-,20-/m1/s1.
What are the key properties of (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
(3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 494.49 g/mol, XLogP of 4.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 14975548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).