2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid

C17H16N2O4 — CID 86717111

IUPAC2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2nc3ccccc3n2CC(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-22-11-7-8-15(23-2)12(9-11)17-18-13-5-3-4-6-14(13)19(17)10-16(20)21/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyZYDZHSWMGZGYIO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid

2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid (PubChem CID 86717111) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
PubChem CID86717111
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2nc3ccccc3n2CC(=O)O)c1
InChIInChI=1S/C17H16N2O4/c1-22-11-7-8-15(23-2)12(9-11)17-18-13-5-3-4-6-14(13)19(17)10-16(20)21/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyZYDZHSWMGZGYIO-UHFFFAOYSA-N
XLogP2.81
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
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2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22687001
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768132

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid (CID 86717111) is 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid is COc1ccc(OC)c(-c2nc3ccccc3n2CC(=O)O)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid?
The InChIKey is ZYDZHSWMGZGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-11-7-8-15(23-2)12(9-11)17-18-13-5-3-4-6-14(13)19(17)10-16(20)21/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid?
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 86717111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).