7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C24H20N4OS — CID 46814093

IUPAC7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-n2c(SCc3cc(=O)n4cc(C)ccc4n3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N4OS/c1-16-7-10-19(11-8-16)28-21-6-4-3-5-20(21)26-24(28)30-15-18-13-23(29)27-14-17(2)9-12-22(27)25-18/h3-14H,15H2,1-2H3
InChIKeyVSQIAQZZWGQNEL-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.94
Rot. Bonds4

About 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 46814093) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID46814093
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC Name7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(-n2c(SCc3cc(=O)n4cc(C)ccc4n3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N4OS/c1-16-7-10-19(11-8-16)28-21-6-4-3-5-20(21)26-24(28)30-15-18-13-23(29)27-14-17(2)9-12-22(27)25-18/h3-14H,15H2,1-2H3
InChIKeyVSQIAQZZWGQNEL-UHFFFAOYSA-N
XLogP4.94
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 46814093) is 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc(-n2c(SCc3cc(=O)n4cc(C)ccc4n3)nc3ccccc32)cc1.
What is the InChIKey of 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VSQIAQZZWGQNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-16-7-10-19(11-8-16)28-21-6-4-3-5-20(21)26-24(28)30-15-18-13-23(29)27-14-17(2)9-12-22(27)25-18/h3-14H,15H2,1-2H3.
What are the key properties of 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 412.52 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46814093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).