3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride

C8H17ClN2O2 — CID 174919063

IUPAC3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride
SMILESCCC(C(O)CO)N1C=NCC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-7(8(12)5-11)10-4-3-9-6-10;/h6-8,11-12H,2-5H2,1H3;1H
InChIKeyXFCGIRWGDBKKHQ-UHFFFAOYSA-N
MW208.69 g/mol
LogP-0.12
Rot. Bonds4

About 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride

3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride (PubChem CID 174919063) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride
PubChem CID174919063
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride
SMILESCCC(C(O)CO)N1C=NCC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-7(8(12)5-11)10-4-3-9-6-10;/h6-8,11-12H,2-5H2,1H3;1H
InChIKeyXFCGIRWGDBKKHQ-UHFFFAOYSA-N
XLogP-0.12
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride (CID 174919063) is 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride is CCC(C(O)CO)N1C=NCC1.Cl.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride?
The InChIKey is XFCGIRWGDBKKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-2-7(8(12)5-11)10-4-3-9-6-10;/h6-8,11-12H,2-5H2,1H3;1H.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride?
3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)pentane-1,2-diol;hydrochloride is sourced from PubChem (CID 174919063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).