8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

C20H15Cl2N3S — CID 23939082

IUPAC8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCc1ccc(-c2cn3c(=S)ncc(-c4ccc(Cl)c(Cl)c4)c3[nH]2)cc1C
InChIInChI=1S/C20H15Cl2N3S/c1-11-3-4-14(7-12(11)2)18-10-25-19(24-18)15(9-23-20(25)26)13-5-6-16(21)17(22)8-13/h3-10,24H,1-2H3
InChIKeyUNBPIAKYBUYERO-UHFFFAOYSA-N
MW400.33 g/mol
LogP6.65
Rot. Bonds2

About 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23939082) has the molecular formula C20H15Cl2N3S and a molecular weight of 400.33 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
PubChem CID23939082
Molecular FormulaC20H15Cl2N3S
Molecular Weight400.33 g/mol
Exact Mass399.04
IUPAC Name8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCc1ccc(-c2cn3c(=S)ncc(-c4ccc(Cl)c(Cl)c4)c3[nH]2)cc1C
InChIInChI=1S/C20H15Cl2N3S/c1-11-3-4-14(7-12(11)2)18-10-25-19(24-18)15(9-23-20(25)26)13-5-6-16(21)17(22)8-13/h3-10,24H,1-2H3
InChIKeyUNBPIAKYBUYERO-UHFFFAOYSA-N
XLogP6.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23907328
8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23931505
8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23958761
8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23857611
2-(3-chloro-2-methylphenyl)-8-(4-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23762521
2-(2,4-dichlorophenyl)-8-(4-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23906551
8-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23988454
3-(3,4-dichlorophenyl)-5-(3,4-dimethylphenyl)-1-methylpyridin-4-one
CID 12879296
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
2-[4-(3-chlorophenyl)-2-methylpyrimidin-5-yl]-4-(3,4-dichlorophenyl)-5-[4-(3,4-dimethylphenyl)-5-methylpyrimidin-2-yl]pyrimidine
CID 146294401
6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106516337
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23939082) is 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is Cc1ccc(-c2cn3c(=S)ncc(-c4ccc(Cl)c(Cl)c4)c3[nH]2)cc1C.
What is the InChIKey of 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is UNBPIAKYBUYERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3S/c1-11-3-4-14(7-12(11)2)18-10-25-19(24-18)15(9-23-20(25)26)13-5-6-16(21)17(22)8-13/h3-10,24H,1-2H3.
What are the key properties of 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 400.33 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23939082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).