2,2-dimethyl-4-phenyl-1H-imidazole-5-thione

C11H12N2S — CID 6621501

IUPAC2,2-dimethyl-4-phenyl-1H-imidazole-5-thione
SMILESCC1(C)N=C(c2ccccc2)C(=S)N1
InChIInChI=1S/C11H12N2S/c1-11(2)12-9(10(14)13-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14)
InChIKeyQUDYXWDELXIWSL-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.14
Rot. Bonds1

About 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione

2,2-dimethyl-4-phenyl-1H-imidazole-5-thione (PubChem CID 6621501) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-1H-imidazole-5-thione
PubChem CID6621501
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2,2-dimethyl-4-phenyl-1H-imidazole-5-thione
SMILESCC1(C)N=C(c2ccccc2)C(=S)N1
InChIInChI=1S/C11H12N2S/c1-11(2)12-9(10(14)13-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14)
InChIKeyQUDYXWDELXIWSL-UHFFFAOYSA-N
XLogP2.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 2151521
3-Phenyl-1,4-diazaspiro[4.6]undec-3-ene-2-thione
CID 16188812
2-isobutyl-2-methyl-5-phenyl-2,3-dihydro-4H-imidazole-4-thione
CID 6621596
3-Phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 12005139
3-(4-Methylphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 12005148
2,2-diethyl-5-phenyl-2,3-dihydro-4H-imidazole-4-thione
CID 16188074
3-(4-Methylphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione
CID 16188813
8-Ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 2151523
3-Phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione
CID 6621526
3-(4-Methylphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
CID 12005149
8-Ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 22424120
4-Methyl-6-phenylpyrimidine-2-thiol
CID 735996

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione?
The IUPAC name of 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione (CID 6621501) is 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione?
The canonical SMILES for 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione is CC1(C)N=C(c2ccccc2)C(=S)N1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione?
The InChIKey is QUDYXWDELXIWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-11(2)12-9(10(14)13-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione?
2,2-dimethyl-4-phenyl-1H-imidazole-5-thione has a molecular weight of 204.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-1H-imidazole-5-thione is sourced from PubChem (CID 6621501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).