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

C18H20FN3O — CID 118631142

IUPAC2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(C)cc(=O)n2cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H20FN3O/c1-3-4-5-10-21-13(2)11-17(23)22-12-16(20-18(21)22)14-6-8-15(19)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyVNXYWZXRDIAXME-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.80
Rot. Bonds5

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

2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631142) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631142
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(C)cc(=O)n2cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H20FN3O/c1-3-4-5-10-21-13(2)11-17(23)22-12-16(20-18(21)22)14-6-8-15(19)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyVNXYWZXRDIAXME-UHFFFAOYSA-N
XLogP3.80
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.80
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

1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole
CID 45103808
2-(4-Chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 77846095
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740936
1-methyl-4-phenyl-1H-imidazole
CID 2748782
12-(Cyclohexylmethyl)-4-(2-fluorophenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11047145
2-[5-(7-Ethyl-8-oxoimidazo[1,2-a]pyrazin-3-yl)-2-fluorophenyl]-5-fluorobenzonitrile
CID 11501697
N-acetyl-N-(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)acetamide
CID 9557161

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one (CID 118631142) is 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1c(C)cc(=O)n2cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is VNXYWZXRDIAXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-3-4-5-10-21-13(2)11-17(23)22-12-16(20-18(21)22)14-6-8-15(19)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one?
2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 313.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).