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

C13H16N2O3S — CID 3241983

IUPAC(3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SC)cc1OC
InChIInChI=1S/C13H16N2O3S/c1-17-10-5-4-9(8-11(10)18-2)12(16)15-7-6-14-13(15)19-3/h4-5,8H,6-7H2,1-3H3
InChIKeyBZHYFYSWZCZWDP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.88
Rot. Bonds3

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

(3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3241983) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3241983
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SC)cc1OC
InChIInChI=1S/C13H16N2O3S/c1-17-10-5-4-9(8-11(10)18-2)12(16)15-7-6-14-13(15)19-3/h4-5,8H,6-7H2,1-3H3
InChIKeyBZHYFYSWZCZWDP-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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3241983) is (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is COc1ccc(C(=O)N2CCN=C2SC)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is BZHYFYSWZCZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-10-5-4-9(8-11(10)18-2)12(16)15-7-6-14-13(15)19-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(3,4-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 (3,4-dimethoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3241983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).