4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid

C15H10ClN3O2 — CID 118978687

IUPAC4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-13-7-12(19-6-5-17-9-19)8-18-14(13)10-1-3-11(4-2-10)15(20)21/h1-9H,(H,20,21)
InChIKeyHJYRDXSTWFCIIY-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.29
Rot. Bonds3

About 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid

4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid (PubChem CID 118978687) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
PubChem CID118978687
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-13-7-12(19-6-5-17-9-19)8-18-14(13)10-1-3-11(4-2-10)15(20)21/h1-9H,(H,20,21)
InChIKeyHJYRDXSTWFCIIY-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Zolpidem carboxylic acid
CID 11966044
4-[[2-butyl-5-[(E)-2-carboxyhex-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952957
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
(E)-3-[2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-(4-pyridyl)methyl-2-propenoic acid
CID 9844411
2-Benzyl-3-[2-butyl-3-(2-chloro-benzyl)-3H-imidazol-4-yl]-acrylic acid
CID 9978845
(E)-3-[2-n-butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-benzyl-2-butenoic acid
CID 10002389
(E)-3-[2-n-Butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-phenyl-2-propenoic Acid
CID 10475763
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-[[4-(dimethylamino)phenyl]methyl]prop-2-enoic acid
CID 15144941
4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
CID 117964962
4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 117964978
3-Fluoro-4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978640

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid (CID 118978687) is 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1.
What is the InChIKey of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The InChIKey is HJYRDXSTWFCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-13-7-12(19-6-5-17-9-19)8-18-14(13)10-1-3-11(4-2-10)15(20)21/h1-9H,(H,20,21).
What are the key properties of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid has a molecular weight of 299.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 118978687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).