4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine

C21H24N4O — CID 50968371

IUPAC4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2CC2CCCO2)n1
InChIInChI=1S/C21H24N4O/c1-15(2)21-22-11-10-18(24-21)20-19(16-7-4-3-5-8-16)23-14-25(20)13-17-9-6-12-26-17/h3-5,7-8,10-11,14-15,17H,6,9,12-13H2,1-2H3
InChIKeyVGYDKOMJKSFZOI-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.31
Rot. Bonds5

About 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine

4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (PubChem CID 50968371) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
PubChem CID50968371
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2CC2CCCO2)n1
InChIInChI=1S/C21H24N4O/c1-15(2)21-22-11-10-18(24-21)20-19(16-7-4-3-5-8-16)23-14-25(20)13-17-9-6-12-26-17/h3-5,7-8,10-11,14-15,17H,6,9,12-13H2,1-2H3
InChIKeyVGYDKOMJKSFZOI-UHFFFAOYSA-N
XLogP4.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

SB 239063
CID 5166
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431988
7-Methyl-5-morpholino-2-phenylimidazo[1,2-a]pyrimidine
CID 1472740
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
1-(3-Morpholinopropyl)-4-[3-(trifluoromethyl)phenyl]-5-(4-pyridyl)-1H-imidazole
CID 10525956
4-[3-(3-Ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 10544044
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-isopropoxy-pyrimidine
CID 12084786

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (CID 50968371) is 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(-c2c(-c3ccccc3)ncn2CC2CCCO2)n1.
What is the InChIKey of 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The InChIKey is VGYDKOMJKSFZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)21-22-11-10-18(24-21)20-19(16-7-4-3-5-8-16)23-14-25(20)13-17-9-6-12-26-17/h3-5,7-8,10-11,14-15,17H,6,9,12-13H2,1-2H3.
What are the key properties of 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine has a molecular weight of 348.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 50968371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).