sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride

C8H17N2NaO — CID 174892317

IUPACsodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride
SMILESCCC(CCO)N1C=NCC1.[H-].[Na+]
InChIInChI=1S/C8H16N2O.Na.H/c1-2-8(3-6-11)10-5-4-9-7-10;;/h7-8,11H,2-6H2,1H3;;/q;+1;-1
InChIKeyBVEQTNQGNQOAPB-UHFFFAOYSA-N
MW180.23 g/mol
LogP-2.39
Rot. Bonds4

About sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride

sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride (PubChem CID 174892317) has the molecular formula C8H17N2NaO and a molecular weight of 180.23 g/mol. Its IUPAC name is sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride.

Molecular Properties

Compound Namesodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride
PubChem CID174892317
Molecular FormulaC8H17N2NaO
Molecular Weight180.23 g/mol
Exact Mass180.12
IUPAC Namesodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride
SMILESCCC(CCO)N1C=NCC1.[H-].[Na+]
InChIInChI=1S/C8H16N2O.Na.H/c1-2-8(3-6-11)10-5-4-9-7-10;;/h7-8,11H,2-6H2,1H3;;/q;+1;-1
InChIKeyBVEQTNQGNQOAPB-UHFFFAOYSA-N
XLogP-2.39
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-2.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride?
The IUPAC name of sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride (CID 174892317) is sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride.
What is the SMILES notation for sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride?
The canonical SMILES for sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride is CCC(CCO)N1C=NCC1.[H-].[Na+].
What is the InChIKey of sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride?
The InChIKey is BVEQTNQGNQOAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.Na.H/c1-2-8(3-6-11)10-5-4-9-7-10;;/h7-8,11H,2-6H2,1H3;;/q;+1;-1.
What are the key properties of sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride?
sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride has a molecular weight of 180.23 g/mol, XLogP of -2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(4,5-dihydroimidazol-1-yl)pentan-1-ol;hydride is sourced from PubChem (CID 174892317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).