1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one

C17H26N2O — CID 143964185

IUPAC1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one
SMILESC=Cc1c(/C=C\C)nc(CC)n1CC(=O)CC(C)(C)C
InChIInChI=1S/C17H26N2O/c1-7-10-14-15(8-2)19(16(9-3)18-14)12-13(20)11-17(4,5)6/h7-8,10H,2,9,11-12H2,1,3-6H3/b10-7-
InChIKeyRZLZXMBUGDYXHV-YFHOEESVSA-N
MW274.41 g/mol
LogP4.13
Rot. Bonds6

About 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one

1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one (PubChem CID 143964185) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one
PubChem CID143964185
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one
SMILESC=Cc1c(/C=C\C)nc(CC)n1CC(=O)CC(C)(C)C
InChIInChI=1S/C17H26N2O/c1-7-10-14-15(8-2)19(16(9-3)18-14)12-13(20)11-17(4,5)6/h7-8,10H,2,9,11-12H2,1,3-6H3/b10-7-
InChIKeyRZLZXMBUGDYXHV-YFHOEESVSA-N
XLogP4.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one (CID 143964185) is 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one is C=Cc1c(/C=C\C)nc(CC)n1CC(=O)CC(C)(C)C.
What is the InChIKey of 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
The InChIKey is RZLZXMBUGDYXHV-YFHOEESVSA-N. The full InChI is InChI=1S/C17H26N2O/c1-7-10-14-15(8-2)19(16(9-3)18-14)12-13(20)11-17(4,5)6/h7-8,10H,2,9,11-12H2,1,3-6H3/b10-7-.
What are the key properties of 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one has a molecular weight of 274.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 143964185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).