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

C14H12N2O2S — CID 43168780

IUPAC2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc3ccccc3n2CC(=O)O)s1
InChIInChI=1S/C14H12N2O2S/c1-9-6-7-12(19-9)14-15-10-4-2-3-5-11(10)16(14)8-13(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDTICOMIJOGXOMX-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.16
Rot. Bonds3

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

2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid (PubChem CID 43168780) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
PubChem CID43168780
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc3ccccc3n2CC(=O)O)s1
InChIInChI=1S/C14H12N2O2S/c1-9-6-7-12(19-9)14-15-10-4-2-3-5-11(10)16(14)8-13(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDTICOMIJOGXOMX-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 65238724
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
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-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125
1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
CID 129161943
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
5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
CID 4731905
2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
CID 63078726

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid (CID 43168780) is 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid is Cc1ccc(-c2nc3ccccc3n2CC(=O)O)s1.
What is the InChIKey of 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is DTICOMIJOGXOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-6-7-12(19-9)14-15-10-4-2-3-5-11(10)16(14)8-13(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid?
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 43168780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).