1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one

C7H10Cl2N2O2 — CID 54358007

IUPAC1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one
SMILESCC(C)Cc1c(O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C7H10Cl2N2O2/c1-4(2)3-5-6(12)11(9)7(13)10(5)8/h4,12H,3H2,1-2H3
InChIKeyUKMHIBYTVKEANS-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.56
Rot. Bonds2

About 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one

1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one (PubChem CID 54358007) has the molecular formula C7H10Cl2N2O2 and a molecular weight of 225.07 g/mol. Its IUPAC name is 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one.

Molecular Properties

Compound Name1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one
PubChem CID54358007
Molecular FormulaC7H10Cl2N2O2
Molecular Weight225.07 g/mol
Exact Mass224.01
IUPAC Name1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one
SMILESCC(C)Cc1c(O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C7H10Cl2N2O2/c1-4(2)3-5-6(12)11(9)7(13)10(5)8/h4,12H,3H2,1-2H3
InChIKeyUKMHIBYTVKEANS-UHFFFAOYSA-N
XLogP1.56
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one?
The IUPAC name of 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one (CID 54358007) is 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one.
What is the SMILES notation for 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one?
The canonical SMILES for 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one is CC(C)Cc1c(O)n(Cl)c(=O)n1Cl.
What is the InChIKey of 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one?
The InChIKey is UKMHIBYTVKEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O2/c1-4(2)3-5-6(12)11(9)7(13)10(5)8/h4,12H,3H2,1-2H3.
What are the key properties of 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one?
1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one has a molecular weight of 225.07 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4-hydroxy-5-(2-methylpropyl)imidazol-2-one is sourced from PubChem (CID 54358007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).