1,2-dichloro-4-phenylimidazole;dioxolane

C12H12Cl2N2O2 — CID 87208506

IUPAC1,2-dichloro-4-phenylimidazole;dioxolane
SMILESC1COOC1.Clc1nc(-c2ccccc2)cn1Cl
InChIInChI=1S/C9H6Cl2N2.C3H6O2/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H;1-3H2
InChIKeyMYKWSRLLDDEYEV-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.54
Rot. Bonds1

About 1,2-dichloro-4-phenylimidazole;dioxolane

1,2-dichloro-4-phenylimidazole;dioxolane (PubChem CID 87208506) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1,2-dichloro-4-phenylimidazole;dioxolane.

Molecular Properties

Compound Name1,2-dichloro-4-phenylimidazole;dioxolane
PubChem CID87208506
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name1,2-dichloro-4-phenylimidazole;dioxolane
SMILESC1COOC1.Clc1nc(-c2ccccc2)cn1Cl
InChIInChI=1S/C9H6Cl2N2.C3H6O2/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H;1-3H2
InChIKeyMYKWSRLLDDEYEV-UHFFFAOYSA-N
XLogP3.54
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-phenylimidazole;dioxolane?
The IUPAC name of 1,2-dichloro-4-phenylimidazole;dioxolane (CID 87208506) is 1,2-dichloro-4-phenylimidazole;dioxolane.
What is the SMILES notation for 1,2-dichloro-4-phenylimidazole;dioxolane?
The canonical SMILES for 1,2-dichloro-4-phenylimidazole;dioxolane is C1COOC1.Clc1nc(-c2ccccc2)cn1Cl.
What is the InChIKey of 1,2-dichloro-4-phenylimidazole;dioxolane?
The InChIKey is MYKWSRLLDDEYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2.C3H6O2/c10-9-12-8(6-13(9)11)7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H;1-3H2.
What are the key properties of 1,2-dichloro-4-phenylimidazole;dioxolane?
1,2-dichloro-4-phenylimidazole;dioxolane has a molecular weight of 287.15 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-phenylimidazole;dioxolane is sourced from PubChem (CID 87208506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).