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

C12H14N2O2S — CID 3413160

IUPAC(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SC)c1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-3-4-9(8-10)11(15)14-7-6-13-12(14)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyKNHHMCGWOGEBNO-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.87
Rot. Bonds2

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

(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3413160) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3413160
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SC)c1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-3-4-9(8-10)11(15)14-7-6-13-12(14)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyKNHHMCGWOGEBNO-UHFFFAOYSA-N
XLogP1.87
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3413160) is (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is COc1cccc(C(=O)N2CCN=C2SC)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is KNHHMCGWOGEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-10-5-3-4-9(8-10)11(15)14-7-6-13-12(14)17-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3413160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).