4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione

C12H14N2OS — CID 116879602

IUPAC4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione
SMILESCOc1cc(C)cc(C)c1-c1c[nH]c(=S)[nH]1
InChIInChI=1S/C12H14N2OS/c1-7-4-8(2)11(10(5-7)15-3)9-6-13-12(16)14-9/h4-6H,1-3H3,(H2,13,14,16)
InChIKeyQCHOQWLGFKHFDN-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.36
Rot. Bonds2

About 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione

4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione (PubChem CID 116879602) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione
PubChem CID116879602
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione
SMILESCOc1cc(C)cc(C)c1-c1c[nH]c(=S)[nH]1
InChIInChI=1S/C12H14N2OS/c1-7-4-8(2)11(10(5-7)15-3)9-6-13-12(16)14-9/h4-6H,1-3H3,(H2,13,14,16)
InChIKeyQCHOQWLGFKHFDN-UHFFFAOYSA-N
XLogP3.36
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazole-2-thione
CID 116879627
6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106683063
4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one
CID 116879754
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
CID 116878216
4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one
CID 116879765
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
2-amino-2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881587
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione (CID 116879602) is 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione is COc1cc(C)cc(C)c1-c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is QCHOQWLGFKHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-4-8(2)11(10(5-7)15-3)9-6-13-12(16)14-9/h4-6H,1-3H3,(H2,13,14,16).
What are the key properties of 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione?
4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 234.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 116879602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).