2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one

C16H18N2O3 — CID 135556828

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C2CC(=O)C(C3=NCCN3)=C(O)C2)cc1
InChIInChI=1S/C16H18N2O3/c1-21-12-4-2-10(3-5-12)11-8-13(19)15(14(20)9-11)16-17-6-7-18-16/h2-5,11,19H,6-9H2,1H3,(H,17,18)
InChIKeyXJPIIFBTUYEYSU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.96
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one

2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one (PubChem CID 135556828) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
PubChem CID135556828
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C2CC(=O)C(C3=NCCN3)=C(O)C2)cc1
InChIInChI=1S/C16H18N2O3/c1-21-12-4-2-10(3-5-12)11-8-13(19)15(14(20)9-11)16-17-6-7-18-16/h2-5,11,19H,6-9H2,1H3,(H,17,18)
InChIKeyXJPIIFBTUYEYSU-UHFFFAOYSA-N
XLogP1.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one (CID 135556828) is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one is COc1ccc(C2CC(=O)C(C3=NCCN3)=C(O)C2)cc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is XJPIIFBTUYEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-12-4-2-10(3-5-12)11-8-13(19)15(14(20)9-11)16-17-6-7-18-16/h2-5,11,19H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 286.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 135556828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).