3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid

C17H14ClN3O2 — CID 25163039

IUPAC3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccncc1
InChIInChI=1S/C17H14ClN3O2/c18-14-3-1-12(2-4-14)15-11-21(10-7-16(22)23)17(20-15)13-5-8-19-9-6-13/h1-6,8-9,11H,7,10H2,(H,22,23)
InChIKeyRNMCBIYNHNZRJL-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.74
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid

3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid (PubChem CID 25163039) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid
PubChem CID25163039
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccncc1
InChIInChI=1S/C17H14ClN3O2/c18-14-3-1-12(2-4-14)15-11-21(10-7-16(22)23)17(20-15)13-5-8-19-9-6-13/h1-6,8-9,11H,7,10H2,(H,22,23)
InChIKeyRNMCBIYNHNZRJL-UHFFFAOYSA-N
XLogP3.74
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Saripidem
CID 3058746
4-(3-((4-Chlorophenyl)methyl)-6-chloroimidazo(4,5-b)pyridin-2-yl)-3,3-dimethylbutanoic acid
CID 3086644
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
2-[6-(4-Chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetic acid
CID 154659102
6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
6-Chloro-2-phenylimidazo[1,2-a]pyridine
CID 696181
6-Chloro-2-(4-chlorophenyl)imidazo(1,2-a)pyridine
CID 717647
2-(4-Chlorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 3703860
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 4302692
2-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10452566
N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 10572917

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid (CID 25163039) is 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid is O=C(O)CCn1cc(-c2ccc(Cl)cc2)nc1-c1ccncc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid?
The InChIKey is RNMCBIYNHNZRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-14-3-1-12(2-4-14)15-11-21(10-7-16(22)23)17(20-15)13-5-8-19-9-6-13/h1-6,8-9,11H,7,10H2,(H,22,23).
What are the key properties of 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid?
3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid has a molecular weight of 327.77 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-pyridin-4-ylimidazol-1-yl]propanoic acid is sourced from PubChem (CID 25163039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).