4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one

C13H12N2O2S — CID 117208982

IUPAC4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(-c3ccc(C)s3)c12
InChIInChI=1S/C13H12N2O2S/c1-8-6-7-11(18-8)15-12-9(14-13(15)16)4-3-5-10(12)17-2/h3-7H,1-2H3,(H,14,16)
InChIKeyYAJJJWAOMDSGRG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.70
Rot. Bonds2

About 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one

4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one (PubChem CID 117208982) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
PubChem CID117208982
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(-c3ccc(C)s3)c12
InChIInChI=1S/C13H12N2O2S/c1-8-6-7-11(18-8)15-12-9(14-13(15)16)4-3-5-10(12)17-2/h3-7H,1-2H3,(H,14,16)
InChIKeyYAJJJWAOMDSGRG-UHFFFAOYSA-N
XLogP2.70
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one 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 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one (CID 117208982) is 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one is COc1cccc2[nH]c(=O)n(-c3ccc(C)s3)c12.
What is the InChIKey of 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The InChIKey is YAJJJWAOMDSGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-6-7-11(18-8)15-12-9(14-13(15)16)4-3-5-10(12)17-2/h3-7H,1-2H3,(H,14,16).
What are the key properties of 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one has a molecular weight of 260.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).