2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C24H20FN3O2 — CID 123703825

IUPAC2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2/c1-16-4-2-3-5-17(16)11-13-28-15-27-22(21-14-19(24(29)30)10-12-26-21)23(28)18-6-8-20(25)9-7-18/h2-10,12,14-15H,11,13H2,1H3,(H,29,30)
InChIKeyONLFOVQYCHCWHL-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.00
Rot. Bonds6

About 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 123703825) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID123703825
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2/c1-16-4-2-3-5-17(16)11-13-28-15-27-22(21-14-19(24(29)30)10-12-26-21)23(28)18-6-8-20(25)9-7-18/h2-10,12,14-15H,11,13H2,1H3,(H,29,30)
InChIKeyONLFOVQYCHCWHL-UHFFFAOYSA-N
XLogP5.00
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine
CID 131857
Zolpidem carboxylic acid
CID 11966044
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl}benzoic acid
CID 23647107
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
3-[6-[3-Amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]benzoic acid
CID 44440659
3-[N-(2-carboxybenzyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
CID 10048776
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
2-[4-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
CID 19008869

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 123703825) is 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is Cc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is ONLFOVQYCHCWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-16-4-2-3-5-17(16)11-13-28-15-27-22(21-14-19(24(29)30)10-12-26-21)23(28)18-6-8-20(25)9-7-18/h2-10,12,14-15H,11,13H2,1H3,(H,29,30).
What are the key properties of 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 401.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 123703825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).