4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole

C16H26N2 — CID 170360363

IUPAC4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole
SMILESC=CC1=C(/C=C(\C)C(C)(C)C)N(CC)C(=C)N1C
InChIInChI=1S/C16H26N2/c1-9-14-15(11-12(3)16(5,6)7)18(10-2)13(4)17(14)8/h9,11H,1,4,10H2,2-3,5-8H3/b12-11+
InChIKeyRKGAGMZSNDRHMU-VAWYXSNFSA-N
MW246.40 g/mol
LogP4.11
Rot. Bonds3

About 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole

4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole (PubChem CID 170360363) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole.

Molecular Properties

Compound Name4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole
PubChem CID170360363
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole
SMILESC=CC1=C(/C=C(\C)C(C)(C)C)N(CC)C(=C)N1C
InChIInChI=1S/C16H26N2/c1-9-14-15(11-12(3)16(5,6)7)18(10-2)13(4)17(14)8/h9,11H,1,4,10H2,2-3,5-8H3/b12-11+
InChIKeyRKGAGMZSNDRHMU-VAWYXSNFSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole?
The IUPAC name of 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole (CID 170360363) is 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole.
What is the SMILES notation for 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole?
The canonical SMILES for 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole is C=CC1=C(/C=C(\C)C(C)(C)C)N(CC)C(=C)N1C.
What is the InChIKey of 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole?
The InChIKey is RKGAGMZSNDRHMU-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H26N2/c1-9-14-15(11-12(3)16(5,6)7)18(10-2)13(4)17(14)8/h9,11H,1,4,10H2,2-3,5-8H3/b12-11+.
What are the key properties of 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole?
4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole has a molecular weight of 246.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethyl-3-methyl-2-methylidene-5-[(E)-2,3,3-trimethylbut-1-enyl]imidazole is sourced from PubChem (CID 170360363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).