4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one

C10H9ClN2O — CID 22361633

IUPAC4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one
SMILESO=C1NC=NC1c1ccccc1CCl
InChIInChI=1S/C10H9ClN2O/c11-5-7-3-1-2-4-8(7)9-10(14)13-6-12-9/h1-4,6,9H,5H2,(H,12,13,14)
InChIKeyXSNLKPFWBYFBII-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.62
Rot. Bonds2

About 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one

4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one (PubChem CID 22361633) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one
PubChem CID22361633
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one
SMILESO=C1NC=NC1c1ccccc1CCl
InChIInChI=1S/C10H9ClN2O/c11-5-7-3-1-2-4-8(7)9-10(14)13-6-12-9/h1-4,6,9H,5H2,(H,12,13,14)
InChIKeyXSNLKPFWBYFBII-UHFFFAOYSA-N
XLogP1.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one (CID 22361633) is 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one is O=C1NC=NC1c1ccccc1CCl.
What is the InChIKey of 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The InChIKey is XSNLKPFWBYFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-5-7-3-1-2-4-8(7)9-10(14)13-6-12-9/h1-4,6,9H,5H2,(H,12,13,14).
What are the key properties of 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one?
4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one has a molecular weight of 208.65 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)phenyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 22361633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).