4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one

C19H26N2O — CID 141146679

IUPAC4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one
SMILESCCCC(C(CC)CCC(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C19H26N2O/c1-3-8-18(21-14-13-20-15-21)16(4-2)11-12-19(22)17-9-6-5-7-10-17/h5-7,9-10,13-16,18H,3-4,8,11-12H2,1-2H3
InChIKeyKGMGSHFOJOQXPR-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.91
Rot. Bonds9

About 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one

4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one (PubChem CID 141146679) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one.

Molecular Properties

Compound Name4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one
PubChem CID141146679
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one
SMILESCCCC(C(CC)CCC(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C19H26N2O/c1-3-8-18(21-14-13-20-15-21)16(4-2)11-12-19(22)17-9-6-5-7-10-17/h5-7,9-10,13-16,18H,3-4,8,11-12H2,1-2H3
InChIKeyKGMGSHFOJOQXPR-UHFFFAOYSA-N
XLogP4.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19825175
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CID 69389171
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CID 69395531
3-imidazol-1-ylhexan-2-ol
CID 174552394
1-(21-benzyltetracontan-20-yl)imidazole
CID 69390987
1-(7-benzylnonadecan-8-yl)imidazole
CID 69398246
1-(7-benzyltetracosan-8-yl)imidazole
CID 69388647
1-(11-benzyloctacosan-12-yl)imidazole
CID 69394236
1-(15-benzyltriacontan-14-yl)imidazole
CID 69389841
1-(14-benzyloctacosan-13-yl)imidazole
CID 69387304
1-(9-benzyltricosan-10-yl)imidazole
CID 69393233
1-(9-benzylheptadecan-8-yl)imidazole
CID 69390186

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one?
The IUPAC name of 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one (CID 141146679) is 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one.
What is the SMILES notation for 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one?
The canonical SMILES for 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one is CCCC(C(CC)CCC(=O)c1ccccc1)n1ccnc1.
What is the InChIKey of 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one?
The InChIKey is KGMGSHFOJOQXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-8-18(21-14-13-20-15-21)16(4-2)11-12-19(22)17-9-6-5-7-10-17/h5-7,9-10,13-16,18H,3-4,8,11-12H2,1-2H3.
What are the key properties of 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one?
4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one has a molecular weight of 298.43 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-imidazol-1-yl-1-phenyloctan-1-one is sourced from PubChem (CID 141146679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).