1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole

C13H14N2S — CID 677364

IUPAC1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C13H14N2S/c1-14-10-6-3-4-7-11(10)15(2)13(14)12-8-5-9-16-12/h3-9,13H,1-2H3
InChIKeyOEQXQGXGGOKFFG-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.33
Rot. Bonds1

About 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole

1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole (PubChem CID 677364) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
PubChem CID677364
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C13H14N2S/c1-14-10-6-3-4-7-11(10)15(2)13(14)12-8-5-9-16-12/h3-9,13H,1-2H3
InChIKeyOEQXQGXGGOKFFG-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole 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 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole (CID 677364) is 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole is CN1c2ccccc2N(C)C1c1cccs1.
What is the InChIKey of 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
The InChIKey is OEQXQGXGGOKFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-14-10-6-3-4-7-11(10)15(2)13(14)12-8-5-9-16-12/h3-9,13H,1-2H3.
What are the key properties of 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole has a molecular weight of 230.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole is sourced from PubChem (CID 677364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).