2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C21H20N4OS — CID 24626686

IUPAC2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-n2ccnc2SCc2cc(=O)n3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C21H20N4OS/c1-14-6-7-18(16(3)11-14)24-10-8-22-21(24)27-13-17-12-19(26)25-9-4-5-15(2)20(25)23-17/h4-12H,13H2,1-3H3
InChIKeyGVYWAQDILSYKRY-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.10
Rot. Bonds4

About 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 24626686) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID24626686
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-n2ccnc2SCc2cc(=O)n3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C21H20N4OS/c1-14-6-7-18(16(3)11-14)24-10-8-22-21(24)27-13-17-12-19(26)25-9-4-5-15(2)20(25)23-17/h4-12H,13H2,1-3H3
InChIKeyGVYWAQDILSYKRY-UHFFFAOYSA-N
XLogP4.10
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 24579644
7-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51184904
4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one
CID 7870848
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086
2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 37143292
7-chloro-2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46641963
N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16600399
7-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24579827
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870886
7-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46814925
9-methyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46805754
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210417

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 24626686) is 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(-n2ccnc2SCc2cc(=O)n3cccc(C)c3n2)c(C)c1.
What is the InChIKey of 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GVYWAQDILSYKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-6-7-18(16(3)11-14)24-10-8-22-21(24)27-13-17-12-19(26)25-9-4-5-15(2)20(25)23-17/h4-12H,13H2,1-3H3.
What are the key properties of 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 376.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24626686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).