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

C21H24N4O — CID 95130874

IUPAC4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)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/t17-/m1/s1
InChIKeyVGYDKOMJKSFZOI-QGZVFWFLSA-N
MW348.45 g/mol
LogP4.31
Rot. Bonds5

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

4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (PubChem CID 95130874) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
PubChem CID95130874
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)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/t17-/m1/s1
InChIKeyVGYDKOMJKSFZOI-QGZVFWFLSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (CID 95130874) is 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)n1.
What is the InChIKey of 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The InChIKey is VGYDKOMJKSFZOI-QGZVFWFLSA-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/t17-/m1/s1.
What are the key properties of 4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
4-[3-[[(2R)-oxolan-2-yl]methyl]-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-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 95130874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).