1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one

C14H18N2O2 — CID 80583254

IUPAC1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one
SMILESCc1ccc(C)c(C(O)Cn2ccn(C)c2=O)c1
InChIInChI=1S/C14H18N2O2/c1-10-4-5-11(2)12(8-10)13(17)9-16-7-6-15(3)14(16)18/h4-8,13,17H,9H2,1-3H3
InChIKeyVHYRJJYNPAPIFP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds3

About 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one

1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one (PubChem CID 80583254) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one
PubChem CID80583254
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one
SMILESCc1ccc(C)c(C(O)Cn2ccn(C)c2=O)c1
InChIInChI=1S/C14H18N2O2/c1-10-4-5-11(2)12(8-10)13(17)9-16-7-6-15(3)14(16)18/h4-8,13,17H,9H2,1-3H3
InChIKeyVHYRJJYNPAPIFP-UHFFFAOYSA-N
XLogP1.54
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one (CID 80583254) is 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one is Cc1ccc(C)c(C(O)Cn2ccn(C)c2=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one?
The InChIKey is VHYRJJYNPAPIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-4-5-11(2)12(8-10)13(17)9-16-7-6-15(3)14(16)18/h4-8,13,17H,9H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one?
1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80583254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).