1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one

C15H18N2O2 — CID 80581489

IUPAC1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
SMILESCc1ccccc1C(=O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C15H18N2O2/c1-11(2)17-9-8-16(15(17)19)10-14(18)13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3
InChIKeyPZGDIUCITJICHT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.42
Rot. Bonds4

About 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one

1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80581489) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
PubChem CID80581489
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
SMILESCc1ccccc1C(=O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C15H18N2O2/c1-11(2)17-9-8-16(15(17)19)10-14(18)13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3
InChIKeyPZGDIUCITJICHT-UHFFFAOYSA-N
XLogP2.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581316
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581295
1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one
CID 80581341
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
1-[2-(4-iodophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581510
6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 62024868
1-(3-methyl-2-oxopentyl)-3-propan-2-ylimidazol-2-one
CID 80581530
N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116625062
5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330314
5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63776539
3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
CID 114485990
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one (CID 80581489) is 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one is Cc1ccccc1C(=O)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is PZGDIUCITJICHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)17-9-8-16(15(17)19)10-14(18)13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one?
1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80581489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).