3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid

C19H20N2O3 — CID 82144857

IUPAC3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
SMILESCc1cccc(OCc2nc3ccccc3n2CCC(=O)O)c1C
InChIInChI=1S/C19H20N2O3/c1-13-6-5-9-17(14(13)2)24-12-18-20-15-7-3-4-8-16(15)21(18)11-10-19(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)
InChIKeyQQKMOWATQHCLKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.71
Rot. Bonds6

About 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid

3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid (PubChem CID 82144857) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
PubChem CID82144857
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
SMILESCc1cccc(OCc2nc3ccccc3n2CCC(=O)O)c1C
InChIInChI=1S/C19H20N2O3/c1-13-6-5-9-17(14(13)2)24-12-18-20-15-7-3-4-8-16(15)21(18)11-10-19(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)
InChIKeyQQKMOWATQHCLKR-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144856
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
CID 16996898
2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-phenylethanone
CID 16997818
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxylic acid
CID 46308548
N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969503
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982256
1-[4-(2,3-dimethylphenoxy)butyl]-2-methylbenzimidazole
CID 16995249
N-[[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972459
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid (CID 82144857) is 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid is Cc1cccc(OCc2nc3ccccc3n2CCC(=O)O)c1C.
What is the InChIKey of 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid?
The InChIKey is QQKMOWATQHCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-5-9-17(14(13)2)24-12-18-20-15-7-3-4-8-16(15)21(18)11-10-19(22)23/h3-9H,10-12H2,1-2H3,(H,22,23).
What are the key properties of 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid?
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid has a molecular weight of 324.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82144857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).