2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one

C13H12Cl2N2O — CID 13337250

IUPAC2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(C(=O)n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-13(2,12(18)17-6-5-16-8-17)10-4-3-9(14)7-11(10)15/h3-8H,1-2H3
InChIKeyRTGIMYMJBMKYIA-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.81
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 13337250) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID13337250
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(C(=O)n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-13(2,12(18)17-6-5-16-8-17)10-4-3-9(14)7-11(10)15/h3-8H,1-2H3
InChIKeyRTGIMYMJBMKYIA-UHFFFAOYSA-N
XLogP3.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one (CID 13337250) is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one is CC(C)(C(=O)n1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is RTGIMYMJBMKYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-13(2,12(18)17-6-5-16-8-17)10-4-3-9(14)7-11(10)15/h3-8H,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 283.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 13337250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).