2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one

C18H20ClN3O — CID 118631248

IUPAC2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(C)cc(=O)n2cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H20ClN3O/c1-3-4-5-9-21-13(2)10-17(23)22-12-16(20-18(21)22)14-7-6-8-15(19)11-14/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyGDBZOERLZCMADK-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.32
Rot. Bonds5

About 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one

2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631248) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631248
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(C)cc(=O)n2cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H20ClN3O/c1-3-4-5-9-21-13(2)10-17(23)22-12-16(20-18(21)22)14-7-6-8-15(19)11-14/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyGDBZOERLZCMADK-UHFFFAOYSA-N
XLogP4.32
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.32
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
4-[(1-{[5-(3-chlorophenyl)-8-methyl-7-oxo-7,8-dihydro-1,8-naphthyridin-3-yl]methyl}-1H-imidazol-5-yl)methyl]benzonitrile
CID 23646766
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
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoic acid
CID 10362083
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-phenylbut-2-enoic acid
CID 10409214
12-Benzyl-4-(4-chlorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11069196
12-Benzyl-4-(3-chlorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11143644

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one (CID 118631248) is 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1c(C)cc(=O)n2cc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is GDBZOERLZCMADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-3-4-5-9-21-13(2)10-17(23)22-12-16(20-18(21)22)14-7-6-8-15(19)11-14/h6-8,10-12H,3-5,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 329.83 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).