1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one

C16H20N2O2 — CID 80581295

IUPAC1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
SMILESCc1ccc(C(=O)Cn2ccn(C(C)C)c2=O)cc1C
InChIInChI=1S/C16H20N2O2/c1-11(2)18-8-7-17(16(18)20)10-15(19)14-6-5-12(3)13(4)9-14/h5-9,11H,10H2,1-4H3
InChIKeyAJEZRJQVRXOIOW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one

1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80581295) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
PubChem CID80581295
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
SMILESCc1ccc(C(=O)Cn2ccn(C(C)C)c2=O)cc1C
InChIInChI=1S/C16H20N2O2/c1-11(2)18-8-7-17(16(18)20)10-15(19)14-6-5-12(3)13(4)9-14/h5-9,11H,10H2,1-4H3
InChIKeyAJEZRJQVRXOIOW-UHFFFAOYSA-N
XLogP2.73
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one (CID 80581295) is 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one is Cc1ccc(C(=O)Cn2ccn(C(C)C)c2=O)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is AJEZRJQVRXOIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)18-8-7-17(16(18)20)10-15(19)14-6-5-12(3)13(4)9-14/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80581295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).