2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one

C20H24ClN3O — CID 118631131

IUPAC2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H24ClN3O/c1-3-4-5-6-7-12-23-15(2)13-19(25)24-14-18(22-20(23)24)16-8-10-17(21)11-9-16/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyBIHJIEXMQHTXCC-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.10
Rot. Bonds7

About 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one

2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631131) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631131
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H24ClN3O/c1-3-4-5-6-7-12-23-15(2)13-19(25)24-14-18(22-20(23)24)16-8-10-17(21)11-9-16/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyBIHJIEXMQHTXCC-UHFFFAOYSA-N
XLogP5.10
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.10
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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Related Compounds

Saripidem
CID 3058746
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
2-(4-Chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 77846095
Ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
CID 118631140
2-[5-(4-Chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylpropanamide
CID 4779876
2-[2-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10452566
N,N-dibutyl-2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 10572917
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide
CID 10695002
7-Methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol
CID 2763440
4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-1-methyl-1H-quinolin-2-one
CID 9934578
(E)-3-[2-n-Butyl-1{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-3-methyl-2-propenoic Acid
CID 9974054
N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine
CID 10042024

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631131) is 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one is CCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is BIHJIEXMQHTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-3-4-5-6-7-12-23-15(2)13-19(25)24-14-18(22-20(23)24)16-8-10-17(21)11-9-16/h8-11,13-14H,3-7,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 357.89 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-heptyl-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).