(2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C13H16N2O3S — CID 4111024

IUPAC(2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SC)c1OC
InChIInChI=1S/C13H16N2O3S/c1-17-10-6-4-5-9(11(10)18-2)12(16)15-8-7-14-13(15)19-3/h4-6H,7-8H2,1-3H3
InChIKeyVSMFKYYQNZBLMY-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.88
Rot. Bonds3

About (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

(2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 4111024) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID4111024
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SC)c1OC
InChIInChI=1S/C13H16N2O3S/c1-17-10-6-4-5-9(11(10)18-2)12(16)15-8-7-14-13(15)19-3/h4-6H,7-8H2,1-3H3
InChIKeyVSMFKYYQNZBLMY-UHFFFAOYSA-N
XLogP1.88
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone 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-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 4111024) is (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is COc1cccc(C(=O)N2CCN=C2SC)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is VSMFKYYQNZBLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-10-6-4-5-9(11(10)18-2)12(16)15-8-7-14-13(15)19-3/h4-6H,7-8H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 280.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 4111024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).