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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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).