3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one

C12H14N2O — CID 103125787

IUPAC3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one
SMILESCc1ccccc1CCn1cc[nH]c1=O
InChIInChI=1S/C12H14N2O/c1-10-4-2-3-5-11(10)6-8-14-9-7-13-12(14)15/h2-5,7,9H,6,8H2,1H3,(H,13,15)
InChIKeyVQBBPYIYRSHJPO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds3

About 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one

3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one (PubChem CID 103125787) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one
PubChem CID103125787
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one
SMILESCc1ccccc1CCn1cc[nH]c1=O
InChIInChI=1S/C12H14N2O/c1-10-4-2-3-5-11(10)6-8-14-9-7-13-12(14)15/h2-5,7,9H,6,8H2,1H3,(H,13,15)
InChIKeyVQBBPYIYRSHJPO-UHFFFAOYSA-N
XLogP1.73
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125812
3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125537
3-[3-(dimethylamino)propyl]-1H-imidazol-2-one
CID 103125015
6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404223
3-bromo-1-[(2-methylphenyl)methyl]pyridin-2-one
CID 114761203
ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one
CID 174765688
2-[2-(2-methylphenyl)ethyl]diazinan-3-one
CID 105472933
6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine
CID 67604658
3-(3-methylsulfinylpropyl)-1H-imidazol-2-one
CID 103126017
3-(2-propan-2-yloxyethyl)-1H-imidazol-2-one
CID 103125961
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635
3-(5-hydroxypentyl)-1H-imidazol-2-one
CID 107319623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one (CID 103125787) is 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one is Cc1ccccc1CCn1cc[nH]c1=O.
What is the InChIKey of 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one?
The InChIKey is VQBBPYIYRSHJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-4-2-3-5-11(10)6-8-14-9-7-13-12(14)15/h2-5,7,9H,6,8H2,1H3,(H,13,15).
What are the key properties of 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one?
3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).