4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one

C5H5ClN2O2 — CID 51066312

IUPAC4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one
SMILESO=C(CCl)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H5ClN2O2/c6-1-4(9)3-2-7-5(10)8-3/h2H,1H2,(H2,7,8,10)
InChIKeyOLVZLVOPHUCCAM-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.12
Rot. Bonds2

About 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one

4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one (PubChem CID 51066312) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one
PubChem CID51066312
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one
SMILESO=C(CCl)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H5ClN2O2/c6-1-4(9)3-2-7-5(10)8-3/h2H,1H2,(H2,7,8,10)
InChIKeyOLVZLVOPHUCCAM-UHFFFAOYSA-N
XLogP0.12
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.12
H-Bond Donors ≤ 52
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-chloroacetyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one (CID 51066312) is 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one is O=C(CCl)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one?
The InChIKey is OLVZLVOPHUCCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c6-1-4(9)3-2-7-5(10)8-3/h2H,1H2,(H2,7,8,10).
What are the key properties of 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one?
4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one has a molecular weight of 160.56 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroacetyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 51066312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).