2-ethenyl-5-methyl-1-propylimidazole

C9H14N2 — CID 135202398

IUPAC2-ethenyl-5-methyl-1-propylimidazole
SMILESC=Cc1ncc(C)n1CCC
InChIInChI=1S/C9H14N2/c1-4-6-11-8(3)7-10-9(11)5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyBGDCIKVQQQQNNH-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.24
Rot. Bonds3

About 2-ethenyl-5-methyl-1-propylimidazole

2-ethenyl-5-methyl-1-propylimidazole (PubChem CID 135202398) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethenyl-5-methyl-1-propylimidazole.

Molecular Properties

Compound Name2-ethenyl-5-methyl-1-propylimidazole
PubChem CID135202398
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethenyl-5-methyl-1-propylimidazole
SMILESC=Cc1ncc(C)n1CCC
InChIInChI=1S/C9H14N2/c1-4-6-11-8(3)7-10-9(11)5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyBGDCIKVQQQQNNH-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methyl-1-propylimidazole?
The IUPAC name of 2-ethenyl-5-methyl-1-propylimidazole (CID 135202398) is 2-ethenyl-5-methyl-1-propylimidazole.
What is the SMILES notation for 2-ethenyl-5-methyl-1-propylimidazole?
The canonical SMILES for 2-ethenyl-5-methyl-1-propylimidazole is C=Cc1ncc(C)n1CCC.
What is the InChIKey of 2-ethenyl-5-methyl-1-propylimidazole?
The InChIKey is BGDCIKVQQQQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-11-8(3)7-10-9(11)5-2/h5,7H,2,4,6H2,1,3H3.
What are the key properties of 2-ethenyl-5-methyl-1-propylimidazole?
2-ethenyl-5-methyl-1-propylimidazole has a molecular weight of 150.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methyl-1-propylimidazole is sourced from PubChem (CID 135202398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).