2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid

C32H25Cl2FN2O3 — CID 58231248

IUPAC2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid
SMILESCCn1cc(-c2ccc(Cl)cc2Cl)nc1Cc1ccc(-c2ccc(OC(C(=O)O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C32H25Cl2FN2O3/c1-2-37-19-29(27-16-11-24(33)18-28(27)34)36-30(37)17-20-3-5-21(6-4-20)22-9-14-26(15-10-22)40-31(32(38)39)23-7-12-25(35)13-8-23/h3-16,18-19,31H,2,17H2,1H3,(H,38,39)
InChIKeyBGCNJNBHOXBFRG-UHFFFAOYSA-N
MW575.47 g/mol
LogP8.48
Rot. Bonds9

About 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid

2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid (PubChem CID 58231248) has the molecular formula C32H25Cl2FN2O3 and a molecular weight of 575.47 g/mol. Its IUPAC name is 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid
PubChem CID58231248
Molecular FormulaC32H25Cl2FN2O3
Molecular Weight575.47 g/mol
Exact Mass574.12
IUPAC Name2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid
SMILESCCn1cc(-c2ccc(Cl)cc2Cl)nc1Cc1ccc(-c2ccc(OC(C(=O)O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C32H25Cl2FN2O3/c1-2-37-19-29(27-16-11-24(33)18-28(27)34)36-30(37)17-20-3-5-21(6-4-20)22-9-14-26(15-10-22)40-31(32(38)39)23-7-12-25(35)13-8-23/h3-16,18-19,31H,2,17H2,1H3,(H,38,39)
InChIKeyBGCNJNBHOXBFRG-UHFFFAOYSA-N
XLogP8.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.47
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid (CID 58231248) is 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid is CCn1cc(-c2ccc(Cl)cc2Cl)nc1Cc1ccc(-c2ccc(OC(C(=O)O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid?
The InChIKey is BGCNJNBHOXBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25Cl2FN2O3/c1-2-37-19-29(27-16-11-24(33)18-28(27)34)36-30(37)17-20-3-5-21(6-4-20)22-9-14-26(15-10-22)40-31(32(38)39)23-7-12-25(35)13-8-23/h3-16,18-19,31H,2,17H2,1H3,(H,38,39).
What are the key properties of 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid?
2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid has a molecular weight of 575.47 g/mol, XLogP of 8.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]methyl]phenyl]phenoxy]-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 58231248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).