2,3-dimethyl-4-phenyl-4H-imidazole-5-thione

C11H12N2S — CID 121223159

IUPAC2,3-dimethyl-4-phenyl-4H-imidazole-5-thione
SMILESCC1=NC(=S)C(c2ccccc2)N1C
InChIInChI=1S/C11H12N2S/c1-8-12-11(14)10(13(8)2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyUDANQKASVIACDC-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.42
Rot. Bonds1

About 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione

2,3-dimethyl-4-phenyl-4H-imidazole-5-thione (PubChem CID 121223159) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione.

Molecular Properties

Compound Name2,3-dimethyl-4-phenyl-4H-imidazole-5-thione
PubChem CID121223159
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2,3-dimethyl-4-phenyl-4H-imidazole-5-thione
SMILESCC1=NC(=S)C(c2ccccc2)N1C
InChIInChI=1S/C11H12N2S/c1-8-12-11(14)10(13(8)2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyUDANQKASVIACDC-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3S,4S)-1,3-dimethyl-4-phenylazetidine-2-thione
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(2R)-6-(diethylamino)-3-methyl-2-phenyl-2H-1,3,5-thiadiazine-4-thione
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4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
CID 45056811
methyl 3,6-dimethyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate
CID 14415463
(1R)-2-methyl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 7321708
2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine
CID 86177757
2,3-dimethyl-4-(4-methylphenyl)-4,5-dihydro-1,3-benzodiazepine
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(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione?
The IUPAC name of 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione (CID 121223159) is 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione.
What is the SMILES notation for 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione?
The canonical SMILES for 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione is CC1=NC(=S)C(c2ccccc2)N1C.
What is the InChIKey of 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione?
The InChIKey is UDANQKASVIACDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-12-11(14)10(13(8)2)9-6-4-3-5-7-9/h3-7,10H,1-2H3.
What are the key properties of 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione?
2,3-dimethyl-4-phenyl-4H-imidazole-5-thione has a molecular weight of 204.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenyl-4H-imidazole-5-thione is sourced from PubChem (CID 121223159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).