2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid

C19H20N2O4 — CID 46997995

IUPAC2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OC(C)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-10-8-14-15(9-11(10)2)21-18(20-14)13-6-5-7-16(24-4)17(13)25-12(3)19(22)23/h5-9,12H,1-4H3,(H,20,21)(H,22,23)
InChIKeyMHQYERXYKVLYJB-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid

2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid (PubChem CID 46997995) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid
PubChem CID46997995
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OC(C)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-10-8-14-15(9-11(10)2)21-18(20-14)13-6-5-7-16(24-4)17(13)25-12(3)19(22)23/h5-9,12H,1-4H3,(H,20,21)(H,22,23)
InChIKeyMHQYERXYKVLYJB-UHFFFAOYSA-N
XLogP3.71
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110538872
2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 56737110
2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
CID 168554553
2-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)-6-methoxyphenoxy]propanoic acid
CID 169400503
2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 82144267
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid?
The IUPAC name of 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid (CID 46997995) is 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid?
The canonical SMILES for 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid is COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OC(C)C(=O)O.
What is the InChIKey of 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid?
The InChIKey is MHQYERXYKVLYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-10-8-14-15(9-11(10)2)21-18(20-14)13-6-5-7-16(24-4)17(13)25-12(3)19(22)23/h5-9,12H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid?
2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid is sourced from PubChem (CID 46997995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).