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

C17H15N3O2 — CID 86268885

IUPAC2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
InChIInChI=1S/C17H15N3O2/c1-11-3-5-12(6-4-11)16-15(19-10-20(16)2)14-9-13(17(21)22)7-8-18-14/h3-10H,1-2H3,(H,21,22)
InChIKeySKXLKYYCGCMBHU-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.16
Rot. Bonds3

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

2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86268885) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86268885
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1
InChIInChI=1S/C17H15N3O2/c1-11-3-5-12(6-4-11)16-15(19-10-20(16)2)14-9-13(17(21)22)7-8-18-14/h3-10H,1-2H3,(H,21,22)
InChIKeySKXLKYYCGCMBHU-UHFFFAOYSA-N
XLogP3.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 86268885) is 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is Cc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1.
What is the InChIKey of 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is SKXLKYYCGCMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-3-5-12(6-4-11)16-15(19-10-20(16)2)14-9-13(17(21)22)7-8-18-14/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(4-methylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86268885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).