1-ethenyl-3-propyl-2H-imidazole

C8H14N2 — CID 123609156

IUPAC1-ethenyl-3-propyl-2H-imidazole
SMILESC=CN1C=CN(CCC)C1
InChIInChI=1S/C8H14N2/c1-3-5-10-7-6-9(4-2)8-10/h4,6-7H,2-3,5,8H2,1H3
InChIKeyGMDSSNPVDDOCII-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.59
Rot. Bonds3

About 1-ethenyl-3-propyl-2H-imidazole

1-ethenyl-3-propyl-2H-imidazole (PubChem CID 123609156) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethenyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-propyl-2H-imidazole
PubChem CID123609156
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-ethenyl-3-propyl-2H-imidazole
SMILESC=CN1C=CN(CCC)C1
InChIInChI=1S/C8H14N2/c1-3-5-10-7-6-9(4-2)8-10/h4,6-7H,2-3,5,8H2,1H3
InChIKeyGMDSSNPVDDOCII-UHFFFAOYSA-N
XLogP1.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propyl-2H-imidazole?
The IUPAC name of 1-ethenyl-3-propyl-2H-imidazole (CID 123609156) is 1-ethenyl-3-propyl-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-propyl-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-propyl-2H-imidazole is C=CN1C=CN(CCC)C1.
What is the InChIKey of 1-ethenyl-3-propyl-2H-imidazole?
The InChIKey is GMDSSNPVDDOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-10-7-6-9(4-2)8-10/h4,6-7H,2-3,5,8H2,1H3.
What are the key properties of 1-ethenyl-3-propyl-2H-imidazole?
1-ethenyl-3-propyl-2H-imidazole has a molecular weight of 138.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propyl-2H-imidazole is sourced from PubChem (CID 123609156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).