2-but-1-enyl-5-ethoxy-1H-imidazole

C9H14N2O — CID 175561809

IUPAC2-but-1-enyl-5-ethoxy-1H-imidazole
SMILESCCC=Cc1ncc(OCC)[nH]1
InChIInChI=1S/C9H14N2O/c1-3-5-6-8-10-7-9(11-8)12-4-2/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyJGTSNFDMVRFQHH-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds4

About 2-but-1-enyl-5-ethoxy-1H-imidazole

2-but-1-enyl-5-ethoxy-1H-imidazole (PubChem CID 175561809) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-but-1-enyl-5-ethoxy-1H-imidazole.

Molecular Properties

Compound Name2-but-1-enyl-5-ethoxy-1H-imidazole
PubChem CID175561809
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-but-1-enyl-5-ethoxy-1H-imidazole
SMILESCCC=Cc1ncc(OCC)[nH]1
InChIInChI=1S/C9H14N2O/c1-3-5-6-8-10-7-9(11-8)12-4-2/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyJGTSNFDMVRFQHH-UHFFFAOYSA-N
XLogP2.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-5-ethoxy-1H-imidazole?
The IUPAC name of 2-but-1-enyl-5-ethoxy-1H-imidazole (CID 175561809) is 2-but-1-enyl-5-ethoxy-1H-imidazole.
What is the SMILES notation for 2-but-1-enyl-5-ethoxy-1H-imidazole?
The canonical SMILES for 2-but-1-enyl-5-ethoxy-1H-imidazole is CCC=Cc1ncc(OCC)[nH]1.
What is the InChIKey of 2-but-1-enyl-5-ethoxy-1H-imidazole?
The InChIKey is JGTSNFDMVRFQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-6-8-10-7-9(11-8)12-4-2/h5-7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-but-1-enyl-5-ethoxy-1H-imidazole?
2-but-1-enyl-5-ethoxy-1H-imidazole has a molecular weight of 166.22 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-5-ethoxy-1H-imidazole is sourced from PubChem (CID 175561809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).