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

C11H11ClN2O — CID 3240911

IUPAC4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C11H11ClN2O/c1-11(2)13-9(10(15)14-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,14,15)
InChIKeyRHNCAHPBAKEEPE-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.00
Rot. Bonds1

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

4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one (PubChem CID 3240911) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one
PubChem CID3240911
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C11H11ClN2O/c1-11(2)13-9(10(15)14-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,14,15)
InChIKeyRHNCAHPBAKEEPE-UHFFFAOYSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The IUPAC name of 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one (CID 3240911) is 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one is CC1(C)N=C(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The InChIKey is RHNCAHPBAKEEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-11(2)13-9(10(15)14-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one has a molecular weight of 222.68 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,2-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 3240911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).