1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one

C15H20N2O2 — CID 117405223

IUPAC1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(CO)c1ccc(-n2ccn(C(C)C)c2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)16-8-9-17(15(16)19)14-6-4-13(5-7-14)12(3)10-18/h4-9,11-12,18H,10H2,1-3H3
InChIKeyHUEOYLHCAWNPPN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds4

About 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one

1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one (PubChem CID 117405223) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one
PubChem CID117405223
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(CO)c1ccc(-n2ccn(C(C)C)c2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)16-8-9-17(15(16)19)14-6-4-13(5-7-14)12(3)10-18/h4-9,11-12,18H,10H2,1-3H3
InChIKeyHUEOYLHCAWNPPN-UHFFFAOYSA-N
XLogP2.32
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one (CID 117405223) is 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one is CC(CO)c1ccc(-n2ccn(C(C)C)c2=O)cc1.
What is the InChIKey of 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is HUEOYLHCAWNPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)16-8-9-17(15(16)19)14-6-4-13(5-7-14)12(3)10-18/h4-9,11-12,18H,10H2,1-3H3.
What are the key properties of 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one?
1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxypropan-2-yl)phenyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 117405223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).