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

C12H14N2O — CID 103125537

IUPAC3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
SMILESCc1cccc(CCn2cc[nH]c2=O)c1
InChIInChI=1S/C12H14N2O/c1-10-3-2-4-11(9-10)5-7-14-8-6-13-12(14)15/h2-4,6,8-9H,5,7H2,1H3,(H,13,15)
InChIKeyKPZZQMWQPZCTPO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds3

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

3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one (PubChem CID 103125537) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
PubChem CID103125537
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
SMILESCc1cccc(CCn2cc[nH]c2=O)c1
InChIInChI=1S/C12H14N2O/c1-10-3-2-4-11(9-10)5-7-14-8-6-13-12(14)15/h2-4,6,8-9H,5,7H2,1H3,(H,13,15)
InChIKeyKPZZQMWQPZCTPO-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

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Related Compounds

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5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
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3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
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10-[2-(3-methylphenyl)ethyl]phenoxazine
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1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
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8-[2-(3-methylphenyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
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CID 142208639

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one (CID 103125537) is 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one is Cc1cccc(CCn2cc[nH]c2=O)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one?
The InChIKey is KPZZQMWQPZCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-3-2-4-11(9-10)5-7-14-8-6-13-12(14)15/h2-4,6,8-9H,5,7H2,1H3,(H,13,15).
What are the key properties of 3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one?
3-[2-(3-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-(3-methylphenyl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).