2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid

C19H20N2O3 — CID 162371088

IUPAC2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid
SMILESCc1ccc2nc(-c3ccc(OC(C)(C)C(=O)O)c(C)c3)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-7-14-15(9-11)21-17(20-14)13-6-8-16(12(2)10-13)24-19(3,4)18(22)23/h5-10H,1-4H3,(H,20,21)(H,22,23)
InChIKeyJJLLBSGMXWKPND-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.09
Rot. Bonds4

About 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid

2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid (PubChem CID 162371088) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid
PubChem CID162371088
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid
SMILESCc1ccc2nc(-c3ccc(OC(C)(C)C(=O)O)c(C)c3)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-7-14-15(9-11)21-17(20-14)13-6-8-16(12(2)10-13)24-19(3,4)18(22)23/h5-10H,1-4H3,(H,20,21)(H,22,23)
InChIKeyJJLLBSGMXWKPND-UHFFFAOYSA-N
XLogP4.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68839327
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid (CID 162371088) is 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid is Cc1ccc2nc(-c3ccc(OC(C)(C)C(=O)O)c(C)c3)[nH]c2c1.
What is the InChIKey of 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid?
The InChIKey is JJLLBSGMXWKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-5-7-14-15(9-11)21-17(20-14)13-6-8-16(12(2)10-13)24-19(3,4)18(22)23/h5-10H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid?
2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid has a molecular weight of 324.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 162371088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).