6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

C19H14FN3O — CID 122506561

IUPAC6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C19H14FN3O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13H2
InChIKeyVBHFTSMLOUWHSA-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.11
Rot. Bonds4

About 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122506561) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID122506561
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C19H14FN3O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13H2
InChIKeyVBHFTSMLOUWHSA-UHFFFAOYSA-N
XLogP4.11
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506591
6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506666
N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506581
6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506719
N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine
CID 163445586
4-methyl-3-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506562
6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506754
6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506647
6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 155468144
6-(2-fluoro-4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidine
CID 122506684
[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
CID 122506560
6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
CID 122506657

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (CID 122506561) is 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is Fc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is VBHFTSMLOUWHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-18-9-5-4-8-17(18)14-10-21-19-22-15(12-23(19)11-14)13-24-16-6-2-1-3-7-16/h1-12H,13H2.
What are the key properties of 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 319.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).