2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid

C17H15N3O2 — CID 70760734

IUPAC2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid
SMILESCc1cccc(-c2nccn2-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C17H15N3O2/c1-12-4-2-7-15(19-12)17-18-8-9-20(17)14-6-3-5-13(10-14)11-16(21)22/h2-10H,11H2,1H3,(H,21,22)
InChIKeyUMUBKDCPBROUFT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.87
Rot. Bonds4

About 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid

2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid (PubChem CID 70760734) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid
PubChem CID70760734
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid
SMILESCc1cccc(-c2nccn2-c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C17H15N3O2/c1-12-4-2-7-15(19-12)17-18-8-9-20(17)14-6-3-5-13(10-14)11-16(21)22/h2-10H,11H2,1H3,(H,21,22)
InChIKeyUMUBKDCPBROUFT-UHFFFAOYSA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid (CID 70760734) is 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid is Cc1cccc(-c2nccn2-c2cccc(CC(=O)O)c2)n1.
What is the InChIKey of 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid?
The InChIKey is UMUBKDCPBROUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-4-2-7-15(19-12)17-18-8-9-20(17)14-6-3-5-13(10-14)11-16(21)22/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid?
2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid has a molecular weight of 293.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]phenyl]acetic acid is sourced from PubChem (CID 70760734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).