2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C18H13ClN4OS — CID 51259735

IUPAC2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2nccn2-c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C18H13ClN4OS/c19-13-4-3-5-15(10-13)22-9-7-20-18(22)25-12-14-11-17(24)23-8-2-1-6-16(23)21-14/h1-11H,12H2
InChIKeyWTGBMVKTVYZBJL-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.83
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51259735) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51259735
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2nccn2-c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C18H13ClN4OS/c19-13-4-3-5-15(10-13)22-9-7-20-18(22)25-12-14-11-17(24)23-8-2-1-6-16(23)21-14/h1-11H,12H2
InChIKeyWTGBMVKTVYZBJL-UHFFFAOYSA-N
XLogP3.83
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 24576586
7-chloro-2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46641963
2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55477363
8-methyl-2-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46675885
2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216820
2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 106678774
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
2-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55476712
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47134933
3-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130602
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 24579644
2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293842

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 51259735) is 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CSc2nccn2-c2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WTGBMVKTVYZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c19-13-4-3-5-15(10-13)22-9-7-20-18(22)25-12-14-11-17(24)23-8-2-1-6-16(23)21-14/h1-11H,12H2.
What are the key properties of 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 368.85 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51259735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).