2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid

C18H14ClFN2O2 — CID 70579057

IUPAC2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)c1[nH]c(-c2ccccc2)nc1Cl
InChIInChI=1S/C18H14ClFN2O2/c19-16-15(21-17(22-16)11-6-2-1-3-7-11)13(18(23)24)10-12-8-4-5-9-14(12)20/h1-9,13H,10H2,(H,21,22)(H,23,24)
InChIKeyJLUZMPYKTGOYHB-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid

2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 70579057) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid
PubChem CID70579057
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)c1[nH]c(-c2ccccc2)nc1Cl
InChIInChI=1S/C18H14ClFN2O2/c19-16-15(21-17(22-16)11-6-2-1-3-7-11)13(18(23)24)10-12-8-4-5-9-14(12)20/h1-9,13H,10H2,(H,21,22)(H,23,24)
InChIKeyJLUZMPYKTGOYHB-UHFFFAOYSA-N
XLogP4.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid (CID 70579057) is 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccccc1F)c1[nH]c(-c2ccccc2)nc1Cl.
What is the InChIKey of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is JLUZMPYKTGOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c19-16-15(21-17(22-16)11-6-2-1-3-7-11)13(18(23)24)10-12-8-4-5-9-14(12)20/h1-9,13H,10H2,(H,21,22)(H,23,24).
What are the key properties of 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid?
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 344.77 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 70579057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).