1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one

C23H18ClFN4O2 — CID 118465787

IUPAC1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2cn3cccnc3n2)cc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C23H18ClFN4O2/c24-18-7-6-17(12-19(18)25)31-21-11-15(20-14-29-10-2-8-26-23(29)27-20)4-5-16(21)13-28-9-1-3-22(28)30/h2,4-8,10-12,14H,1,3,9,13H2
InChIKeyRLJMOMZJNFSMHS-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.10
Rot. Bonds5

About 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one

1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one (PubChem CID 118465787) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one
PubChem CID118465787
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2cn3cccnc3n2)cc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C23H18ClFN4O2/c24-18-7-6-17(12-19(18)25)31-21-11-15(20-14-29-10-2-8-26-23(29)27-20)4-5-16(21)13-28-9-1-3-22(28)30/h2,4-8,10-12,14H,1,3,9,13H2
InChIKeyRLJMOMZJNFSMHS-UHFFFAOYSA-N
XLogP5.10
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one (CID 118465787) is 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(-c2cn3cccnc3n2)cc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one?
The InChIKey is RLJMOMZJNFSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-18-7-6-17(12-19(18)25)31-21-11-15(20-14-29-10-2-8-26-23(29)27-20)4-5-16(21)13-28-9-1-3-22(28)30/h2,4-8,10-12,14H,1,3,9,13H2.
What are the key properties of 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one?
1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one has a molecular weight of 436.87 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3-fluorophenoxy)-4-imidazo[1,2-a]pyrimidin-2-ylphenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118465787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).