4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one

C11H10Cl2N2O — CID 3237963

IUPAC4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccc(Cl)cc2Cl)C(=O)N1
InChIInChI=1S/C11H10Cl2N2O/c1-11(2)14-9(10(16)15-11)7-4-3-6(12)5-8(7)13/h3-5H,1-2H3,(H,15,16)
InChIKeyKCQWZQOGGVTEIG-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.65
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one

4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one (PubChem CID 3237963) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one
PubChem CID3237963
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccc(Cl)cc2Cl)C(=O)N1
InChIInChI=1S/C11H10Cl2N2O/c1-11(2)14-9(10(16)15-11)7-4-3-6(12)5-8(7)13/h3-5H,1-2H3,(H,15,16)
InChIKeyKCQWZQOGGVTEIG-UHFFFAOYSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one (CID 3237963) is 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one is CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=O)N1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The InChIKey is KCQWZQOGGVTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-11(2)14-9(10(16)15-11)7-4-3-6(12)5-8(7)13/h3-5H,1-2H3,(H,15,16).
What are the key properties of 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one has a molecular weight of 257.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2,2-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 3237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).