7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one

C19H23N3O — CID 118631136

IUPAC7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(C)cc(=O)n2cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C19H23N3O/c1-4-5-6-11-21-15(3)12-18(23)22-13-17(20-19(21)22)16-9-7-14(2)8-10-16/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyDIWBKBMXPOXBJC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.97
Rot. Bonds5

About 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one

7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631136) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631136
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(C)cc(=O)n2cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C19H23N3O/c1-4-5-6-11-21-15(3)12-18(23)22-13-17(20-19(21)22)16-9-7-14(2)8-10-16/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyDIWBKBMXPOXBJC-UHFFFAOYSA-N
XLogP3.97
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one (CID 118631136) is 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1c(C)cc(=O)n2cc(-c3ccc(C)cc3)nc12.
What is the InChIKey of 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is DIWBKBMXPOXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-5-6-11-21-15(3)12-18(23)22-13-17(20-19(21)22)16-9-7-14(2)8-10-16/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 309.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).