1-[(3-methylphenyl)methyl]imidazolidin-2-one

C11H14N2O — CID 3236942

IUPAC1-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cccc(CN2CCNC2=O)c1
InChIInChI=1S/C11H14N2O/c1-9-3-2-4-10(7-9)8-13-6-5-12-11(13)14/h2-4,7H,5-6,8H2,1H3,(H,12,14)
InChIKeyPQOGTJPIHKQBQX-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.52
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]imidazolidin-2-one

1-[(3-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 3236942) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]imidazolidin-2-one
PubChem CID3236942
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cccc(CN2CCNC2=O)c1
InChIInChI=1S/C11H14N2O/c1-9-3-2-4-10(7-9)8-13-6-5-12-11(13)14/h2-4,7H,5-6,8H2,1H3,(H,12,14)
InChIKeyPQOGTJPIHKQBQX-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(3-methylphenyl)methyl]imidazolidin-2-one (CID 3236942) is 1-[(3-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3-methylphenyl)methyl]imidazolidin-2-one is Cc1cccc(CN2CCNC2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is PQOGTJPIHKQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-3-2-4-10(7-9)8-13-6-5-12-11(13)14/h2-4,7H,5-6,8H2,1H3,(H,12,14).
What are the key properties of 1-[(3-methylphenyl)methyl]imidazolidin-2-one?
1-[(3-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 3236942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).