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

C17H18ClN3O2 — CID 78426399

IUPAC2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCOCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H18ClN3O2/c1-3-23-9-8-20-12(2)10-16(22)21-11-15(19-17(20)21)13-4-6-14(18)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyAZUOXDNQPQTUAT-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.16
Rot. Bonds5

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

2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 78426399) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID78426399
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCOCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H18ClN3O2/c1-3-23-9-8-20-12(2)10-16(22)21-11-15(19-17(20)21)13-4-6-14(18)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyAZUOXDNQPQTUAT-UHFFFAOYSA-N
XLogP3.16
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 78426399) is 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one is CCOCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is AZUOXDNQPQTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-3-23-9-8-20-12(2)10-16(22)21-11-15(19-17(20)21)13-4-6-14(18)7-5-13/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 331.80 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 78426399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).