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

C22H21N3S — CID 23903769

IUPAC2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCc1cc(C)cc(-c2cnc(=S)n3cc(-c4ccc(C)cc4C)[nH]c23)c1
InChIInChI=1S/C22H21N3S/c1-13-5-6-18(16(4)8-13)20-12-25-21(24-20)19(11-23-22(25)26)17-9-14(2)7-15(3)10-17/h5-12,24H,1-4H3
InChIKeyFPRJKUKMLDOOJM-UHFFFAOYSA-N
MW359.50 g/mol
LogP5.96
Rot. Bonds2

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

2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23903769) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
PubChem CID23903769
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC Name2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCc1cc(C)cc(-c2cnc(=S)n3cc(-c4ccc(C)cc4C)[nH]c23)c1
InChIInChI=1S/C22H21N3S/c1-13-5-6-18(16(4)8-13)20-12-25-21(24-20)19(11-23-22(25)26)17-9-14(2)7-15(3)10-17/h5-12,24H,1-4H3
InChIKeyFPRJKUKMLDOOJM-UHFFFAOYSA-N
XLogP5.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 55.96
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-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23931505
8-(3,4-dichlorophenyl)-2-(3,4-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23939082
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882858
1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 60865963
6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516880
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
CID 20766179
2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene
CID 91389768
6-(3,5-dimethylphenyl)-1H-pyrimidine-2-thione
CID 106513682
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878702
bis([4-(3,4-dimethylphenyl)-2-methylphenyl]phosphane);[4-(3,4-dimethylphenyl)-3-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-2-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-3-methylphenyl]phosphane;[4-(2,4-dimethylphenyl)phenyl]phosphane;[4-(3,4-dimethylphenyl)phenyl]phosphane;[2-methyl-4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(3-methyl-4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane
CID 158094684
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23903769) is 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is Cc1cc(C)cc(-c2cnc(=S)n3cc(-c4ccc(C)cc4C)[nH]c23)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is FPRJKUKMLDOOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-13-5-6-18(16(4)8-13)20-12-25-21(24-20)19(11-23-22(25)26)17-9-14(2)7-15(3)10-17/h5-12,24H,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 359.50 g/mol, XLogP of 5.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-8-(3,5-dimethylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23903769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).