3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one

C19H20N2O4 — CID 146048744

IUPAC3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c(-c2[nH]c(C(C)C)nc2-c2ccccc2)o1
InChIInChI=1S/C19H20N2O4/c1-11(2)19-20-15(12-7-5-4-6-8-12)16(21-19)18-17(23)14(22)9-13(25-18)10-24-3/h4-9,11,23H,10H2,1-3H3,(H,20,21)
InChIKeyGUPYQNJMSNBYIK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.67
Rot. Bonds5

About 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one

3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one (PubChem CID 146048744) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one
PubChem CID146048744
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c(-c2[nH]c(C(C)C)nc2-c2ccccc2)o1
InChIInChI=1S/C19H20N2O4/c1-11(2)19-20-15(12-7-5-4-6-8-12)16(21-19)18-17(23)14(22)9-13(25-18)10-24-3/h4-9,11,23H,10H2,1-3H3,(H,20,21)
InChIKeyGUPYQNJMSNBYIK-UHFFFAOYSA-N
XLogP3.67
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one
CID 146048839
2-[5-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]benzoic acid
CID 135638731
3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-hydroxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one
CID 154925357
3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
CID 82300491
3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(2-hydroxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one
CID 154925407
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136930656
2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
CID 82288554
2-[3-[5-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-4-(3-methoxyphenyl)-1H-imidazol-2-yl]indol-1-yl]acetic acid
CID 154925376
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
4,5-diphenyl-2-[(1R)-1-phenylethyl]-1H-imidazole
CID 2538047
3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one
CID 154925280
3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 75491311

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one (CID 146048744) is 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one is COCc1cc(=O)c(O)c(-c2[nH]c(C(C)C)nc2-c2ccccc2)o1.
What is the InChIKey of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one?
The InChIKey is GUPYQNJMSNBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11(2)19-20-15(12-7-5-4-6-8-12)16(21-19)18-17(23)14(22)9-13(25-18)10-24-3/h4-9,11,23H,10H2,1-3H3,(H,20,21).
What are the key properties of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one?
3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one has a molecular weight of 340.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one is sourced from PubChem (CID 146048744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).