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

C20H20N4O2S — CID 16505797

IUPAC2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-14-7-8-24-18(11-14)21-15(12-19(24)25)13-27-20-22-16-5-3-4-6-17(16)23(20)9-10-26-2/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyXTZXYWHHVNOYLN-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.29
Rot. Bonds6

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

2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 16505797) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID16505797
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-14-7-8-24-18(11-14)21-15(12-19(24)25)13-27-20-22-16-5-3-4-6-17(16)23(20)9-10-26-2/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyXTZXYWHHVNOYLN-UHFFFAOYSA-N
XLogP3.29
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-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-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 42899994
4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 31932042
7-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3250794
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 16513774
7-bromo-2-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 16526344
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 24579644
1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 24629504
7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46814093
1-(2-methoxyphenyl)-3-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]urea
CID 46331970
3-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130602
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 16505797) is 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is COCCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2ccccc21.
What is the InChIKey of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XTZXYWHHVNOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14-7-8-24-18(11-14)21-15(12-19(24)25)13-27-20-22-16-5-3-4-6-17(16)23(20)9-10-26-2/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 380.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16505797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).