4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one

C5H8ClN3O2 — CID 175538875

IUPAC4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(O)CNCl)[nH]1
InChIInChI=1S/C5H8ClN3O2/c6-8-2-4(10)3-1-7-5(11)9-3/h1,4,8,10H,2H2,(H2,7,9,11)
InChIKeyCSOPCAXKFZJSDX-UHFFFAOYSA-N
MW177.59 g/mol
LogP-0.52
Rot. Bonds3

About 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one

4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one (PubChem CID 175538875) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
PubChem CID175538875
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(C(O)CNCl)[nH]1
InChIInChI=1S/C5H8ClN3O2/c6-8-2-4(10)3-1-7-5(11)9-3/h1,4,8,10H,2H2,(H2,7,9,11)
InChIKeyCSOPCAXKFZJSDX-UHFFFAOYSA-N
XLogP-0.52
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Hydroxymethyl)-1,3-dihydroimidazol-2-one
CID 54466280
4-(1-Hydroxyethyl)-1,3-dihydroimidazol-2-one
CID 57136069
5-(1-hydroxyethyl)-3-methyl-1H-imidazol-2-one
CID 91149407
4-(1-Hydroxy-2-methylpropyl)-1,3-dihydroimidazol-2-one
CID 91319640
1-(2,3-dihydro-1H-imidazol-4-yl)ethanol
CID 175319554
4-[2-(Dimethylamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one
CID 175538672
4-[3-(Chloroamino)-2-hydroxypropyl]-1,3-dihydroimidazol-2-one
CID 175538702
N-[2-hydroxy-2-(2-oxo-1,3-dihydroimidazol-4-yl)ethyl]acetamide
CID 175538821
5-Hydroxy-1,3,4,5-tetrahydro-1,3-diazepin-2-one
CID 332239
4-(2-Amino-1-hydroxyethyl)-1,3-dimethylimidazol-2-one
CID 83874088
4-(2-Amino-1-hydroxyethyl)-1,3-dihydroimidazol-2-one
CID 84020732
4-[1-Hydroxy-2-(methylamino)ethyl]-1,3-dihydroimidazol-2-one
CID 84021076

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one (CID 175538875) is 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(C(O)CNCl)[nH]1.
What is the InChIKey of 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is CSOPCAXKFZJSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3O2/c6-8-2-4(10)3-1-7-5(11)9-3/h1,4,8,10H,2H2,(H2,7,9,11).
What are the key properties of 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one?
4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 177.59 g/mol, XLogP of -0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloroamino)-1-hydroxyethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 175538875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).