2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid

C16H13ClN2O2 — CID 106861835

IUPAC2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc3ccccc3n2CC(=O)O)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-11(12(17)8-10)16-18-13-4-2-3-5-14(13)19(16)9-15(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyRZDXGEOXDJEUMY-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid

2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid (PubChem CID 106861835) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
PubChem CID106861835
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc3ccccc3n2CC(=O)O)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-11(12(17)8-10)16-18-13-4-2-3-5-14(13)19(16)9-15(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyRZDXGEOXDJEUMY-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid
CID 107963386
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
CID 81291998
2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16987650
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16987815
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22687001
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 65238724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid (CID 106861835) is 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid is Cc1ccc(-c2nc3ccccc3n2CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid?
The InChIKey is RZDXGEOXDJEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-6-7-11(12(17)8-10)16-18-13-4-2-3-5-14(13)19(16)9-15(20)21/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid?
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid has a molecular weight of 300.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 106861835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).