8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one

C13H10ClN3OS — CID 148829715

IUPAC8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCc1cccc(Sc2c[nH]c(=O)n3ccnc23)c1Cl
InChIInChI=1S/C13H10ClN3OS/c1-8-3-2-4-9(11(8)14)19-10-7-16-13(18)17-6-5-15-12(10)17/h2-7H,1H3,(H,16,18)
InChIKeyOTKXGBODGLEODF-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.14
Rot. Bonds2

About 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one

8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 148829715) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID148829715
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCc1cccc(Sc2c[nH]c(=O)n3ccnc23)c1Cl
InChIInChI=1S/C13H10ClN3OS/c1-8-3-2-4-9(11(8)14)19-10-7-16-13(18)17-6-5-15-12(10)17/h2-7H,1H3,(H,16,18)
InChIKeyOTKXGBODGLEODF-UHFFFAOYSA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-chlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one
CID 171343023
8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 139427260
N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide
CID 143574421
N-[(Z)-1-(3-tert-butylsulfanyl-2-chlorophenyl)-2-(2-methylimidazol-1-yl)ethenyl]methanimine
CID 167041230
2-[(2-chlorobenzyl)thio]-N-[(1-ethyl-1H-imidazol-2-yl)methyl]acetamide
CID 46999333
2-[(2-chlorobenzyl)thio]-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]acetamide
CID 135105460

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one (CID 148829715) is 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one is Cc1cccc(Sc2c[nH]c(=O)n3ccnc23)c1Cl.
What is the InChIKey of 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is OTKXGBODGLEODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-8-3-2-4-9(11(8)14)19-10-7-16-13(18)17-6-5-15-12(10)17/h2-7H,1H3,(H,16,18).
What are the key properties of 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 291.76 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 148829715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).