2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one

C23H29ClN4O — CID 118631337

IUPAC2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(N2C(C)CCC2C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H29ClN4O/c1-4-5-6-13-26-21(28-16(2)7-8-17(28)3)14-22(29)27-15-20(25-23(26)27)18-9-11-19(24)12-10-18/h9-12,14-17H,4-8,13H2,1-3H3
InChIKeyUUZSLUVIWMIOJY-UHFFFAOYSA-N
MW412.97 g/mol
LogP5.38
Rot. Bonds6

About 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one

2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631337) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631337
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(N2C(C)CCC2C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H29ClN4O/c1-4-5-6-13-26-21(28-16(2)7-8-17(28)3)14-22(29)27-15-20(25-23(26)27)18-9-11-19(24)12-10-18/h9-12,14-17H,4-8,13H2,1-3H3
InChIKeyUUZSLUVIWMIOJY-UHFFFAOYSA-N
XLogP5.38
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.97
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one (CID 118631337) is 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1c(N2C(C)CCC2C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is UUZSLUVIWMIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O/c1-4-5-6-13-26-21(28-16(2)7-8-17(28)3)14-22(29)27-15-20(25-23(26)27)18-9-11-19(24)12-10-18/h9-12,14-17H,4-8,13H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 412.97 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).