2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate

C11H14N2O3 — CID 66774628

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
SMILESO.c1ccc2c(c1)OCC(C1=NCCN1)O2
InChIInChI=1S/C11H12N2O2.H2O/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H2
InChIKeyIYNHDXHRBAABSE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.00
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate (PubChem CID 66774628) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
PubChem CID66774628
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
SMILESO.c1ccc2c(c1)OCC(C1=NCCN1)O2
InChIInChI=1S/C11H12N2O2.H2O/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H2
InChIKeyIYNHDXHRBAABSE-UHFFFAOYSA-N
XLogP0.00
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,5-trideuterio-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,5-dihydroimidazole
CID 176790776
(4S,5R)-4,5-dideuterio-2-(6-deuterio-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
CID 176790778
CID 169153779
CID 169153779
2-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262582
2-[(5R)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine
CID 53319577
3-amino-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-pyrazole-4-carbonitrile
CID 118669544
CID 169153769
CID 169153769
benzene;2-cyclopropyl-4,5-dihydro-1H-imidazole
CID 145110900
10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;oxalic acid
CID 70295376
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
CID 135025433
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952979

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate (CID 66774628) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate is O.c1ccc2c(c1)OCC(C1=NCCN1)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate?
The InChIKey is IYNHDXHRBAABSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.H2O/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate has a molecular weight of 222.24 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate is sourced from PubChem (CID 66774628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).