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

C18H17N3O2 — CID 86269289

IUPAC2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C18H17N3O2/c1-13-4-2-3-5-14(13)7-9-21-11-17(20-12-21)16-10-15(18(22)23)6-8-19-16/h2-6,8,10-12H,7,9H2,1H3,(H,22,23)
InChIKeyFNPHROKMXPECAD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.19
Rot. Bonds5

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

2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86269289) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86269289
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C18H17N3O2/c1-13-4-2-3-5-14(13)7-9-21-11-17(20-12-21)16-10-15(18(22)23)6-8-19-16/h2-6,8,10-12H,7,9H2,1H3,(H,22,23)
InChIKeyFNPHROKMXPECAD-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.19
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
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
Zolpidem carboxylic acid
CID 11966044
4-(1-Imidazolyl)benzoic Acid
CID 736529
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4-yl)-propionic acid
CID 9966944
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 86269289) is 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is Cc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is FNPHROKMXPECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-4-2-3-5-14(13)7-9-21-11-17(20-12-21)16-10-15(18(22)23)6-8-19-16/h2-6,8,10-12H,7,9H2,1H3,(H,22,23).
What are the key properties of 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86269289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).