2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid

C14H12N2O2S — CID 82142028

IUPAC2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
SMILESCn1c(-c2cccs2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H12N2O2S/c1-16-11-5-4-9(8-13(17)18)7-10(11)15-14(16)12-3-2-6-19-12/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDQIGGMROSXSZEN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.93
Rot. Bonds3

About 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid

2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid (PubChem CID 82142028) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
PubChem CID82142028
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid
SMILESCn1c(-c2cccs2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C14H12N2O2S/c1-16-11-5-4-9(8-13(17)18)7-10(11)15-14(16)12-3-2-6-19-12/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDQIGGMROSXSZEN-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-thiophen-2-ylbenzimidazol-5-amine
CID 615219
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
2-[1-butyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142170
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142130
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-(1,2-dimethylbenzimidazol-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110773212
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 94742947
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid (CID 82142028) is 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid is Cn1c(-c2cccs2)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid?
The InChIKey is DQIGGMROSXSZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-16-11-5-4-9(8-13(17)18)7-10(11)15-14(16)12-3-2-6-19-12/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid?
2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid has a molecular weight of 272.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-thiophen-2-ylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82142028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).