2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one

C21H22N2O3 — CID 151639484

IUPAC2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2ccccc2C(=O)C(O)c2ccccc2)NC1=O
InChIInChI=1S/C21H22N2O3/c1-13(2)21(3)20(26)22-19(23-21)16-12-8-7-11-15(16)18(25)17(24)14-9-5-4-6-10-14/h4-13,17,24H,1-3H3,(H,22,23,26)
InChIKeyQSFHVFFHOGLSNS-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.89
Rot. Bonds5

About 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one

2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 151639484) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one
PubChem CID151639484
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCC(C)C1(C)N=C(c2ccccc2C(=O)C(O)c2ccccc2)NC1=O
InChIInChI=1S/C21H22N2O3/c1-13(2)21(3)20(26)22-19(23-21)16-12-8-7-11-15(16)18(25)17(24)14-9-5-4-6-10-14/h4-13,17,24H,1-3H3,(H,22,23,26)
InChIKeyQSFHVFFHOGLSNS-UHFFFAOYSA-N
XLogP2.89
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one (CID 151639484) is 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one is CC(C)C1(C)N=C(c2ccccc2C(=O)C(O)c2ccccc2)NC1=O.
What is the InChIKey of 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is QSFHVFFHOGLSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)21(3)20(26)22-19(23-21)16-12-8-7-11-15(16)18(25)17(24)14-9-5-4-6-10-14/h4-13,17,24H,1-3H3,(H,22,23,26).
What are the key properties of 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 350.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 151639484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).