1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one

C13H14Cl2N2O — CID 116624970

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C13H14Cl2N2O/c1-9(2)17-7-6-16(13(17)18)8-10-11(14)4-3-5-12(10)15/h3-7,9H,8H2,1-2H3
InChIKeyAWHMJZBOAXBZNU-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.59
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one

1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 116624970) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID116624970
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C13H14Cl2N2O/c1-9(2)17-7-6-16(13(17)18)8-10-11(14)4-3-5-12(10)15/h3-7,9H,8H2,1-2H3
InChIKeyAWHMJZBOAXBZNU-UHFFFAOYSA-N
XLogP3.59
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-aminophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579355
3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzoic acid
CID 80579774
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625154
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80609995
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625086
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625039
2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetonitrile
CID 80581156
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
CID 102940740
1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
CID 107522959
1-[(5-aminoquinolin-8-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579624
1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one
CID 116625130

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one (CID 116624970) is 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is AWHMJZBOAXBZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-9(2)17-7-6-16(13(17)18)8-10-11(14)4-3-5-12(10)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 285.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116624970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).