7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one

C11H14ClN3O — CID 10399364

IUPAC7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1ccn2c(=O)cc(Cl)nc12
InChIInChI=1S/C11H14ClN3O/c1-2-3-4-5-14-6-7-15-10(16)8-9(12)13-11(14)15/h6-8H,2-5H2,1H3
InChIKeyYTKSLRQTHVJAFK-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.34
Rot. Bonds4

About 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one

7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 10399364) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one
PubChem CID10399364
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1ccn2c(=O)cc(Cl)nc12
InChIInChI=1S/C11H14ClN3O/c1-2-3-4-5-14-6-7-15-10(16)8-9(12)13-11(14)15/h6-8H,2-5H2,1H3
InChIKeyYTKSLRQTHVJAFK-UHFFFAOYSA-N
XLogP2.34
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.34
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

Cwpakppsuvqhbb-uhfffaoysa-
CID 10013741
7-Chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one
CID 10060844
Rivlvkkwiiobke-uhfffaoysa-
CID 10376739

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one (CID 10399364) is 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1ccn2c(=O)cc(Cl)nc12.
What is the InChIKey of 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is YTKSLRQTHVJAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-3-4-5-14-6-7-15-10(16)8-9(12)13-11(14)15/h6-8H,2-5H2,1H3.
What are the key properties of 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one?
7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 239.71 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 10399364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).