1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one

C15H18N2O — CID 166266306

IUPAC1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2ccc(C3CCC3)cc2)c1=O
InChIInChI=1S/C15H18N2O/c1-16-9-10-17(15(16)18)11-12-5-7-14(8-6-12)13-3-2-4-13/h5-10,13H,2-4,11H2,1H3
InChIKeyUBXREGRMTRYOPT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.50
Rot. Bonds3

About 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one

1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one (PubChem CID 166266306) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one
PubChem CID166266306
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2ccc(C3CCC3)cc2)c1=O
InChIInChI=1S/C15H18N2O/c1-16-9-10-17(15(16)18)11-12-5-7-14(8-6-12)13-3-2-4-13/h5-10,13H,2-4,11H2,1H3
InChIKeyUBXREGRMTRYOPT-UHFFFAOYSA-N
XLogP2.50
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
1-benzyl-3-hydroxy-2,3-dihydro-1H-imidazol-2-one
CID 44541206
4-(4-cyclohexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
CID 19897011
4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
CID 19897022
1,3-Dihydro-1-methyl-4-phenyl-2H-imidazol-2-one
CID 20668706
N-benzyl-N,N',N'-triethylurea
CID 2990170
4-(4-heptylphenyl)-3,5-dimethyl-1H-imidazol-2-one
CID 44455000
4-(4-tert-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one
CID 44455066
3,5-dimethyl-4-(4-pentylphenyl)-1H-imidazol-2-one
CID 44455067
3,5-dimethyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-one
CID 44455071
4-(4-decylphenyl)-3,5-dimethyl-1H-imidazol-2-one
CID 44455394
5-(4'-n-Butylphenyl)-1,4-dimethyl-4-imidazolin-2-one
CID 19897014

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one (CID 166266306) is 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one is Cn1ccn(Cc2ccc(C3CCC3)cc2)c1=O.
What is the InChIKey of 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one?
The InChIKey is UBXREGRMTRYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-9-10-17(15(16)18)11-12-5-7-14(8-6-12)13-3-2-4-13/h5-10,13H,2-4,11H2,1H3.
What are the key properties of 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one?
1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclobutylphenyl)methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 166266306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).