2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C19H15ClN4OS — CID 24576586

IUPAC2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CSc3nccn3-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C19H15ClN4OS/c1-13-6-8-24-17(10-13)22-15(11-18(24)25)12-26-19-21-7-9-23(19)16-4-2-14(20)3-5-16/h2-11H,12H2,1H3
InChIKeyXGKDKYCPUPWAHA-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.13
Rot. Bonds4

About 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 24576586) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID24576586
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CSc3nccn3-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C19H15ClN4OS/c1-13-6-8-24-17(10-13)22-15(11-18(24)25)12-26-19-21-7-9-23(19)16-4-2-14(20)3-5-16/h2-11H,12H2,1H3
InChIKeyXGKDKYCPUPWAHA-UHFFFAOYSA-N
XLogP4.13
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-2-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46675885
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 24579644
2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51259735
2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 16513902
7-chloro-2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46641963
3-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 24576581
2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55477363
2-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55476712
2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 16516385
2-[[5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 47094109
7-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51612043
2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 24626686

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 24576586) is 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CSc3nccn3-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XGKDKYCPUPWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-13-6-8-24-17(10-13)22-15(11-18(24)25)12-26-19-21-7-9-23(19)16-4-2-14(20)3-5-16/h2-11H,12H2,1H3.
What are the key properties of 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 382.88 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24576586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).