2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid

C24H17Cl2FN2O3 — CID 67954133

IUPAC2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1c(CC(=O)O)nc(-c2ccccc2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C24H17Cl2FN2O3/c1-32-20-11-10-15(25)12-16(20)23-18(13-21(30)31)28-24(14-6-3-2-4-7-14)29(23)19-9-5-8-17(26)22(19)27/h2-12H,13H2,1H3,(H,30,31)
InChIKeyWFBIWAFIWCAGDZ-UHFFFAOYSA-N
MW471.32 g/mol
LogP6.29
Rot. Bonds6

About 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid

2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid (PubChem CID 67954133) has the molecular formula C24H17Cl2FN2O3 and a molecular weight of 471.32 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid
PubChem CID67954133
Molecular FormulaC24H17Cl2FN2O3
Molecular Weight471.32 g/mol
Exact Mass470.06
IUPAC Name2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1c(CC(=O)O)nc(-c2ccccc2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C24H17Cl2FN2O3/c1-32-20-11-10-15(25)12-16(20)23-18(13-21(30)31)28-24(14-6-3-2-4-7-14)29(23)19-9-5-8-17(26)22(19)27/h2-12H,13H2,1H3,(H,30,31)
InChIKeyWFBIWAFIWCAGDZ-UHFFFAOYSA-N
XLogP6.29
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.32
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid (CID 67954133) is 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid is COc1ccc(Cl)cc1-c1c(CC(=O)O)nc(-c2ccccc2)n1-c1cccc(Cl)c1F.
What is the InChIKey of 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid?
The InChIKey is WFBIWAFIWCAGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O3/c1-32-20-11-10-15(25)12-16(20)23-18(13-21(30)31)28-24(14-6-3-2-4-7-14)29(23)19-9-5-8-17(26)22(19)27/h2-12H,13H2,1H3,(H,30,31).
What are the key properties of 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid?
2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid has a molecular weight of 471.32 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid is sourced from PubChem (CID 67954133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).