4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane

C13H24N2 — CID 144672099

IUPAC4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane
SMILESC=C(C)C1=NCN=C1C(=C)C.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;2*1-2/h1,3,5H2,2,4H3;2*1-2H3
InChIKeyWFIXXQXFFQWZOW-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.04
Rot. Bonds2

About 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane

4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane (PubChem CID 144672099) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane.

Molecular Properties

Compound Name4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane
PubChem CID144672099
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane
SMILESC=C(C)C1=NCN=C1C(=C)C.CC.CC
InChIInChI=1S/C9H12N2.2C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;2*1-2/h1,3,5H2,2,4H3;2*1-2H3
InChIKeyWFIXXQXFFQWZOW-UHFFFAOYSA-N
XLogP4.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane?
The IUPAC name of 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane (CID 144672099) is 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane.
What is the SMILES notation for 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane?
The canonical SMILES for 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane is C=C(C)C1=NCN=C1C(=C)C.CC.CC.
What is the InChIKey of 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane?
The InChIKey is WFIXXQXFFQWZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;2*1-2/h1,3,5H2,2,4H3;2*1-2H3.
What are the key properties of 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane?
4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane has a molecular weight of 208.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-1-en-2-yl)-2H-imidazole;ethane is sourced from PubChem (CID 144672099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).