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

C12H14N2OS — CID 3450649

IUPAC(4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2OS/c1-9-3-5-10(6-4-9)11(15)14-8-7-13-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKeyFAYQGQOBPLHXBW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.17
Rot. Bonds1

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

(4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3450649) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3450649
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2OS/c1-9-3-5-10(6-4-9)11(15)14-8-7-13-12(14)16-2/h3-6H,7-8H2,1-2H3
InChIKeyFAYQGQOBPLHXBW-UHFFFAOYSA-N
XLogP2.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3450649) is (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is FAYQGQOBPLHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-3-5-10(6-4-9)11(15)14-8-7-13-12(14)16-2/h3-6H,7-8H2,1-2H3.
What are the key properties of (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 234.32 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3450649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).