4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one

C4H5ClN2O2 — CID 91022415

IUPAC4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(O)Cl)[nH]1
InChIInChI=1S/C4H5ClN2O2/c5-3(8)2-1-6-4(9)7-2/h1,3,8H,(H2,6,7,9)
InChIKeyXPDAMBGACHKMLM-UHFFFAOYSA-N
MW148.55 g/mol
LogP-0.07
Rot. Bonds1

About 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one

4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one (PubChem CID 91022415) has the molecular formula C4H5ClN2O2 and a molecular weight of 148.55 g/mol. Its IUPAC name is 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one
PubChem CID91022415
Molecular FormulaC4H5ClN2O2
Molecular Weight148.55 g/mol
Exact Mass148.00
IUPAC Name4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(O)Cl)[nH]1
InChIInChI=1S/C4H5ClN2O2/c5-3(8)2-1-6-4(9)7-2/h1,3,8H,(H2,6,7,9)
InChIKeyXPDAMBGACHKMLM-UHFFFAOYSA-N
XLogP-0.07
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.55
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Dihydroxymethyl)-1,3-dihydroimidazol-2-one
CID 53815919
4-(Hydroxymethyl)-1,3-dihydroimidazol-2-one
CID 54466280

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one (CID 91022415) is 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(C(O)Cl)[nH]1.
What is the InChIKey of 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one?
The InChIKey is XPDAMBGACHKMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2/c5-3(8)2-1-6-4(9)7-2/h1,3,8H,(H2,6,7,9).
What are the key properties of 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one?
4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one has a molecular weight of 148.55 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(hydroxy)methyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 91022415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).