6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

C18H12ClFN4O — CID 122506564

IUPAC6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(OCc2cn3cc(-c4cncc(Cl)c4)cnc3n2)cc1
InChIInChI=1S/C18H12ClFN4O/c19-14-5-12(6-21-8-14)13-7-22-18-23-16(10-24(18)9-13)11-25-17-3-1-15(20)2-4-17/h1-10H,11H2
InChIKeyKZINAMCYBKVGLK-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.16
Rot. Bonds4

About 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506564) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
PubChem CID122506564
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(OCc2cn3cc(-c4cncc(Cl)c4)cnc3n2)cc1
InChIInChI=1S/C18H12ClFN4O/c19-14-5-12(6-21-8-14)13-7-22-18-23-16(10-24(18)9-13)11-25-17-3-1-15(20)2-4-17/h1-10H,11H2
InChIKeyKZINAMCYBKVGLK-UHFFFAOYSA-N
XLogP4.16
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (CID 122506564) is 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is Fc1ccc(OCc2cn3cc(-c4cncc(Cl)c4)cnc3n2)cc1.
What is the InChIKey of 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is KZINAMCYBKVGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c19-14-5-12(6-21-8-14)13-7-22-18-23-16(10-24(18)9-13)11-25-17-3-1-15(20)2-4-17/h1-10H,11H2.
What are the key properties of 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 354.77 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-pyridinyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).