2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine

C14H12ClN3O — CID 700189

IUPAC2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(OCc2cn3cccnc3n2)ccc1Cl
InChIInChI=1S/C14H12ClN3O/c1-10-7-12(3-4-13(10)15)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9H2,1H3
InChIKeyNZNMMSPWHDDYAA-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.27
Rot. Bonds3

About 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine

2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 700189) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
PubChem CID700189
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(OCc2cn3cccnc3n2)ccc1Cl
InChIInChI=1S/C14H12ClN3O/c1-10-7-12(3-4-13(10)15)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9H2,1H3
InChIKeyNZNMMSPWHDDYAA-UHFFFAOYSA-N
XLogP3.27
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine (CID 700189) is 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine is Cc1cc(OCc2cn3cccnc3n2)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is NZNMMSPWHDDYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-10-7-12(3-4-13(10)15)19-9-11-8-18-6-2-5-16-14(18)17-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine?
2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 273.72 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 700189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).