2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one

C22H20ClN3O3 — CID 134806816

IUPAC2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCOCc1ccccc1-c1cn(C)c(=O)n2cc(COc3ccc(Cl)cc3)nc12
InChIInChI=1S/C22H20ClN3O3/c1-25-12-20(19-6-4-3-5-15(19)13-28-2)21-24-17(11-26(21)22(25)27)14-29-18-9-7-16(23)8-10-18/h3-12H,13-14H2,1-2H3
InChIKeyDARJAWQDSXRAFC-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.08
Rot. Bonds6

About 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one

2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 134806816) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one
PubChem CID134806816
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCOCc1ccccc1-c1cn(C)c(=O)n2cc(COc3ccc(Cl)cc3)nc12
InChIInChI=1S/C22H20ClN3O3/c1-25-12-20(19-6-4-3-5-15(19)13-28-2)21-24-17(11-26(21)22(25)27)14-29-18-9-7-16(23)8-10-18/h3-12H,13-14H2,1-2H3
InChIKeyDARJAWQDSXRAFC-UHFFFAOYSA-N
XLogP4.08
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one (CID 134806816) is 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one is COCc1ccccc1-c1cn(C)c(=O)n2cc(COc3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is DARJAWQDSXRAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-25-12-20(19-6-4-3-5-15(19)13-28-2)21-24-17(11-26(21)22(25)27)14-29-18-9-7-16(23)8-10-18/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one?
2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 409.87 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-8-[2-(methoxymethyl)phenyl]-6-methylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134806816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).