2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid

C15H14N2O2S — CID 65238724

IUPAC2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid
SMILESCc1cc(-c2nc3ccccc3n2CC(=O)O)sc1C
InChIInChI=1S/C15H14N2O2S/c1-9-7-13(20-10(9)2)15-16-11-5-3-4-6-12(11)17(15)8-14(18)19/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyGRPYHPMTICAPHN-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.47
Rot. Bonds3

About 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid

2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid (PubChem CID 65238724) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid
PubChem CID65238724
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid
SMILESCc1cc(-c2nc3ccccc3n2CC(=O)O)sc1C
InChIInChI=1S/C15H14N2O2S/c1-9-7-13(20-10(9)2)15-16-11-5-3-4-6-12(11)17(15)8-14(18)19/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyGRPYHPMTICAPHN-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid
CID 107963386
2-[2-(1-methylimidazol-4-yl)benzimidazol-1-yl]acetic acid
CID 114022725
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125
2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid
CID 66122497
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid (CID 65238724) is 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid is Cc1cc(-c2nc3ccccc3n2CC(=O)O)sc1C.
What is the InChIKey of 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is GRPYHPMTICAPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-7-13(20-10(9)2)15-16-11-5-3-4-6-12(11)17(15)8-14(18)19/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 286.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 65238724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).