3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione

C10H8BrClN2S — CID 107614792

IUPAC3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClN2S/c1-6-5-13-10(15)14(6)7-2-3-8(11)9(12)4-7/h2-5H,1H3,(H,13,15)
InChIKeyRQYGKWIONASQPX-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.26
Rot. Bonds1

About 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione

3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione (PubChem CID 107614792) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione
PubChem CID107614792
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClN2S/c1-6-5-13-10(15)14(6)7-2-3-8(11)9(12)4-7/h2-5H,1H3,(H,13,15)
InChIKeyRQYGKWIONASQPX-UHFFFAOYSA-N
XLogP4.26
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.26
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-(3-bromo-4-fluorophenyl)-4-methyl-1H-imidazole-2-thione
CID 104780239
3-(6-bromonaphthalen-2-yl)-4-methyl-1H-imidazole-2-thione
CID 81335829
3-(4-bromo-3,5-dimethylphenyl)-4-methyl-1H-imidazole-2-thione
CID 107576712
3-(3-bromo-5-methylphenyl)-4-methyl-1H-imidazole-2-thione
CID 107576722
4-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 81336366
6-bromo-3-(4-bromo-3-chlorophenyl)-1H-benzimidazole-2-thione
CID 107613862
3-(2,3-dichlorophenyl)-4-methyl-1H-imidazole-2-thione
CID 81339321
3-(4-bromo-3-chlorophenyl)-5-methoxy-1H-benzimidazole-2-thione
CID 107613867
3-(4-bromo-3-chlorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 107613876
3-(4-bromo-3-chlorophenyl)-7-methoxy-1H-benzimidazole-2-thione
CID 107613887
4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 107617166
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-1H-imidazole-2-thione
CID 81338890

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione (CID 107614792) is 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione?
The InChIKey is RQYGKWIONASQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c1-6-5-13-10(15)14(6)7-2-3-8(11)9(12)4-7/h2-5H,1H3,(H,13,15).
What are the key properties of 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione?
3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione has a molecular weight of 303.61 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 107614792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).