5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole

C12H18N2 — CID 90751591

IUPAC5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole
SMILESC=Cc1c(C=CC)nc(C(C)C)n1C
InChIInChI=1S/C12H18N2/c1-6-8-10-11(7-2)14(5)12(13-10)9(3)4/h6-9H,2H2,1,3-5H3
InChIKeyVTFBXLRQDZIHDE-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.22
Rot. Bonds3

About 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole

5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole (PubChem CID 90751591) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole.

Molecular Properties

Compound Name5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole
PubChem CID90751591
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole
SMILESC=Cc1c(C=CC)nc(C(C)C)n1C
InChIInChI=1S/C12H18N2/c1-6-8-10-11(7-2)14(5)12(13-10)9(3)4/h6-9H,2H2,1,3-5H3
InChIKeyVTFBXLRQDZIHDE-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole?
The IUPAC name of 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole (CID 90751591) is 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole.
What is the SMILES notation for 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole?
The canonical SMILES for 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole is C=Cc1c(C=CC)nc(C(C)C)n1C.
What is the InChIKey of 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole?
The InChIKey is VTFBXLRQDZIHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-8-10-11(7-2)14(5)12(13-10)9(3)4/h6-9H,2H2,1,3-5H3.
What are the key properties of 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole?
5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole has a molecular weight of 190.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-enylimidazole is sourced from PubChem (CID 90751591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).