3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride

C8H18Cl2N2O — CID 175560570

IUPAC3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride
SMILESCCC(C(C)O)N1C=NCC1.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-3-8(7(2)11)10-5-4-9-6-10;;/h6-8,11H,3-5H2,1-2H3;2*1H
InChIKeyOFPHEXZLCREOQE-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.33
Rot. Bonds3

About 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride

3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride (PubChem CID 175560570) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride
PubChem CID175560570
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride
SMILESCCC(C(C)O)N1C=NCC1.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-3-8(7(2)11)10-5-4-9-6-10;;/h6-8,11H,3-5H2,1-2H3;2*1H
InChIKeyOFPHEXZLCREOQE-UHFFFAOYSA-N
XLogP1.33
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride (CID 175560570) is 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride is CCC(C(C)O)N1C=NCC1.Cl.Cl.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride?
The InChIKey is OFPHEXZLCREOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c1-3-8(7(2)11)10-5-4-9-6-10;;/h6-8,11H,3-5H2,1-2H3;2*1H.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride?
3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)pentan-2-ol;dihydrochloride is sourced from PubChem (CID 175560570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).