2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid

C14H12N2O3S — CID 81122968

IUPAC2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCOc1ccsc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C14H12N2O3S/c1-16-10-4-3-8(14(17)18)7-9(10)15-13(16)12-11(19-2)5-6-20-12/h3-7H,1-2H3,(H,17,18)
InChIKeyMEHWTGQPBLOZNZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.01
Rot. Bonds3

About 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid

2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 81122968) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID81122968
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCOc1ccsc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C14H12N2O3S/c1-16-10-4-3-8(14(17)18)7-9(10)15-13(16)12-11(19-2)5-6-20-12/h3-7H,1-2H3,(H,17,18)
InChIKeyMEHWTGQPBLOZNZ-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid (CID 81122968) is 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid is COc1ccsc1-c1nc2cc(C(=O)O)ccc2n1C.
What is the InChIKey of 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is MEHWTGQPBLOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-16-10-4-3-8(14(17)18)7-9(10)15-13(16)12-11(19-2)5-6-20-12/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 81122968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).