tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate

C19H20ClN3O3 — CID 118631143

IUPACtert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H20ClN3O3/c1-12-9-16(24)23-10-15(13-5-7-14(20)8-6-13)21-18(23)22(12)11-17(25)26-19(2,3)4/h5-10H,11H2,1-4H3
InChIKeyJPYUYDPJLWNBEW-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.47
Rot. Bonds3

About tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate

tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (PubChem CID 118631143) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
PubChem CID118631143
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Nametert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H20ClN3O3/c1-12-9-16(24)23-10-15(13-5-7-14(20)8-6-13)21-18(23)22(12)11-17(25)26-19(2,3)4/h5-10H,11H2,1-4H3
InChIKeyJPYUYDPJLWNBEW-UHFFFAOYSA-N
XLogP3.47
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (CID 118631143) is tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The InChIKey is JPYUYDPJLWNBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12-9-16(24)23-10-15(13-5-7-14(20)8-6-13)21-18(23)22(12)11-17(25)26-19(2,3)4/h5-10H,11H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate has a molecular weight of 373.84 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is sourced from PubChem (CID 118631143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).