5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one

C16H12Cl2N2O2 — CID 91427443

IUPAC5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2ccccc2)c(O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2/c17-11-7-12(18)9-13(8-11)20-15(21)14(19-16(20)22)6-10-4-2-1-3-5-10/h1-5,7-9,21H,6H2,(H,19,22)
InChIKeyDMJJFZGDFNFNER-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.77
Rot. Bonds3

About 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one

5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one (PubChem CID 91427443) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one
PubChem CID91427443
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2ccccc2)c(O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2/c17-11-7-12(18)9-13(8-11)20-15(21)14(19-16(20)22)6-10-4-2-1-3-5-10/h1-5,7-9,21H,6H2,(H,19,22)
InChIKeyDMJJFZGDFNFNER-UHFFFAOYSA-N
XLogP3.77
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one (CID 91427443) is 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one is O=c1[nH]c(Cc2ccccc2)c(O)n1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one?
The InChIKey is DMJJFZGDFNFNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-11-7-12(18)9-13(8-11)20-15(21)14(19-16(20)22)6-10-4-2-1-3-5-10/h1-5,7-9,21H,6H2,(H,19,22).
What are the key properties of 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one?
5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one has a molecular weight of 335.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3,5-dichlorophenyl)-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 91427443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).