2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one

C18H16ClN5O2 — CID 134809886

IUPAC2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1-c1cn(C)c(=O)n2cc(COc3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H16ClN5O2/c1-22-10-15(16-7-8-20-23(16)2)17-21-13(9-24(17)18(22)25)11-26-14-5-3-12(19)4-6-14/h3-10H,11H2,1-2H3
InChIKeyGEQJLIBLHNNTEN-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.67
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one

2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 134809886) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID134809886
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1-c1cn(C)c(=O)n2cc(COc3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H16ClN5O2/c1-22-10-15(16-7-8-20-23(16)2)17-21-13(9-24(17)18(22)25)11-26-14-5-3-12(19)4-6-14/h3-10H,11H2,1-2H3
InChIKeyGEQJLIBLHNNTEN-UHFFFAOYSA-N
XLogP2.67
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one (CID 134809886) is 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one is Cn1nccc1-c1cn(C)c(=O)n2cc(COc3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is GEQJLIBLHNNTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-22-10-15(16-7-8-20-23(16)2)17-21-13(9-24(17)18(22)25)11-26-14-5-3-12(19)4-6-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one?
2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 369.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-6-methyl-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134809886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).