2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one

C20H24ClN3O2 — CID 144837688

IUPAC2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(-c2ccc(Cl)cc2)cn2c(=O)c(CCO)c(C)nc12
InChIInChI=1S/C20H24ClN3O2/c1-3-4-5-11-23-18(15-6-8-16(21)9-7-15)13-24-19(26)17(10-12-25)14(2)22-20(23)24/h6-9,13,25H,3-5,10-12H2,1-2H3
InChIKeyGCOVRXXDZNVJTB-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one

2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 144837688) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one
PubChem CID144837688
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(-c2ccc(Cl)cc2)cn2c(=O)c(CCO)c(C)nc12
InChIInChI=1S/C20H24ClN3O2/c1-3-4-5-11-23-18(15-6-8-16(21)9-7-15)13-24-19(26)17(10-12-25)14(2)22-20(23)24/h6-9,13,25H,3-5,10-12H2,1-2H3
InChIKeyGCOVRXXDZNVJTB-UHFFFAOYSA-N
XLogP3.85
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one
CID 144837749
2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631137
3-benzyl-2-(4-chlorophenyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-one
CID 91912057
8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631129
ethyl 2-[4-[7-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-2-yl]cyclohexyl]oxyacetate
CID 144837667
4-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 118631538
ethyl 2-[7-(4-chlorophenyl)-5-oxo-1-pentylimidazo[1,2-a]pyrimidin-2-yl]acetate
CID 144837765
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 51368647
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)acetamide
CID 51368613
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51368620
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 51368706
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one (CID 144837688) is 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1c(-c2ccc(Cl)cc2)cn2c(=O)c(CCO)c(C)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is GCOVRXXDZNVJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-4-5-11-23-18(15-6-8-16(21)9-7-15)13-24-19(26)17(10-12-25)14(2)22-20(23)24/h6-9,13,25H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 373.88 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-1-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 144837688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).