1-propan-2-yl-4,5-dihydroimidazole-2-selenol

C6H12N2Se — CID 101399192

IUPAC1-propan-2-yl-4,5-dihydroimidazole-2-selenol
SMILESCC(C)N1CCN=C1[SeH]
InChIInChI=1S/C6H12N2Se/c1-5(2)8-4-3-7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyYYSQUTUINJQPBN-UHFFFAOYSA-N
MW191.14 g/mol
LogP-0.03
Rot. Bonds1

About 1-propan-2-yl-4,5-dihydroimidazole-2-selenol

1-propan-2-yl-4,5-dihydroimidazole-2-selenol (PubChem CID 101399192) has the molecular formula C6H12N2Se and a molecular weight of 191.14 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dihydroimidazole-2-selenol.

Molecular Properties

Compound Name1-propan-2-yl-4,5-dihydroimidazole-2-selenol
PubChem CID101399192
Molecular FormulaC6H12N2Se
Molecular Weight191.14 g/mol
Exact Mass192.02
IUPAC Name1-propan-2-yl-4,5-dihydroimidazole-2-selenol
SMILESCC(C)N1CCN=C1[SeH]
InChIInChI=1S/C6H12N2Se/c1-5(2)8-4-3-7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyYYSQUTUINJQPBN-UHFFFAOYSA-N
XLogP-0.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
N-(i-propyl)imidazolidine-2-selenone
CID 12981032
1,3,4,5-Tetramethyl-4,5-dihydroimidazol-1-ium
CID 91506433
CID 12981030
CID 12981030
1-Isopropyl-2-methylimidazoline
CID 14692959
1,1-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 18625024
1-Propan-2-yl-4,5-dihydroimidazole
CID 19819184
1-Ethyl-4,5-dimethyl-4,5-dihydroimidazole
CID 20700984
1,3,4-Trimethyl-4,5-dihydroimidazol-1-ium
CID 21977221
1-Ethyl-3,4-dimethyl-4,5-dihydroimidazol-1-ium
CID 21977226
3-Ethyl-1,4-dimethyl-4,5-dihydroimidazol-1-ium
CID 21977264
1,1,2,5-Tetramethyl-4,5-dihydroimidazol-1-ium
CID 21977315

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-dihydroimidazole-2-selenol?
The IUPAC name of 1-propan-2-yl-4,5-dihydroimidazole-2-selenol (CID 101399192) is 1-propan-2-yl-4,5-dihydroimidazole-2-selenol.
What is the SMILES notation for 1-propan-2-yl-4,5-dihydroimidazole-2-selenol?
The canonical SMILES for 1-propan-2-yl-4,5-dihydroimidazole-2-selenol is CC(C)N1CCN=C1[SeH].
What is the InChIKey of 1-propan-2-yl-4,5-dihydroimidazole-2-selenol?
The InChIKey is YYSQUTUINJQPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2Se/c1-5(2)8-4-3-7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 1-propan-2-yl-4,5-dihydroimidazole-2-selenol?
1-propan-2-yl-4,5-dihydroimidazole-2-selenol has a molecular weight of 191.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5-dihydroimidazole-2-selenol is sourced from PubChem (CID 101399192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).