5-ethyl-1H-imidazole;molecular hydrogen;propane

C8H18N2 — CID 153371786

IUPAC5-ethyl-1H-imidazole;molecular hydrogen;propane
SMILESCCC.CCc1cnc[nH]1.[H][H]
InChIInChI=1S/C5H8N2.C3H8.H2/c1-2-5-3-6-4-7-5;1-3-2;/h3-4H,2H2,1H3,(H,6,7);3H2,1-2H3;1H
InChIKeyJYOFFEIEOUHOCR-UHFFFAOYSA-N
MW142.25 g/mol
LogP2.63
Rot. Bonds1

About 5-ethyl-1H-imidazole;molecular hydrogen;propane

5-ethyl-1H-imidazole;molecular hydrogen;propane (PubChem CID 153371786) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 5-ethyl-1H-imidazole;molecular hydrogen;propane.

Molecular Properties

Compound Name5-ethyl-1H-imidazole;molecular hydrogen;propane
PubChem CID153371786
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name5-ethyl-1H-imidazole;molecular hydrogen;propane
SMILESCCC.CCc1cnc[nH]1.[H][H]
InChIInChI=1S/C5H8N2.C3H8.H2/c1-2-5-3-6-4-7-5;1-3-2;/h3-4H,2H2,1H3,(H,6,7);3H2,1-2H3;1H
InChIKeyJYOFFEIEOUHOCR-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-imidazole;molecular hydrogen;propane?
The IUPAC name of 5-ethyl-1H-imidazole;molecular hydrogen;propane (CID 153371786) is 5-ethyl-1H-imidazole;molecular hydrogen;propane.
What is the SMILES notation for 5-ethyl-1H-imidazole;molecular hydrogen;propane?
The canonical SMILES for 5-ethyl-1H-imidazole;molecular hydrogen;propane is CCC.CCc1cnc[nH]1.[H][H].
What is the InChIKey of 5-ethyl-1H-imidazole;molecular hydrogen;propane?
The InChIKey is JYOFFEIEOUHOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C3H8.H2/c1-2-5-3-6-4-7-5;1-3-2;/h3-4H,2H2,1H3,(H,6,7);3H2,1-2H3;1H.
What are the key properties of 5-ethyl-1H-imidazole;molecular hydrogen;propane?
5-ethyl-1H-imidazole;molecular hydrogen;propane has a molecular weight of 142.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-imidazole;molecular hydrogen;propane is sourced from PubChem (CID 153371786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).