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

C12H14N2O2S — CID 5024635

IUPAC(4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-3-9(4-6-10)11(15)14-8-7-13-12(14)17-2/h3-6H,7-8H2,1-2H3
InChIKeyYOQUEBHNLZNSID-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.87
Rot. Bonds2

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

(4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 5024635) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID5024635
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN=C2SC)cc1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-3-9(4-6-10)11(15)14-8-7-13-12(14)17-2/h3-6H,7-8H2,1-2H3
InChIKeyYOQUEBHNLZNSID-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 (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 5024635) is (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is COc1ccc(C(=O)N2CCN=C2SC)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is YOQUEBHNLZNSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-10-5-3-9(4-6-10)11(15)14-8-7-13-12(14)17-2/h3-6H,7-8H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(4-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 (4-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 5024635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).