1H-imidazole;1-(4-pentylphenyl)ethanone

C16H22N2O — CID 174356985

IUPAC1H-imidazole;1-(4-pentylphenyl)ethanone
SMILESCCCCCc1ccc(C(C)=O)cc1.c1c[nH]cn1
InChIInChI=1S/C13H18O.C3H4N2/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14;1-2-5-3-4-1/h7-10H,3-6H2,1-2H3;1-3H,(H,4,5)
InChIKeyARIJHEJRVVFTLZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.03
Rot. Bonds5

About 1H-imidazole;1-(4-pentylphenyl)ethanone

1H-imidazole;1-(4-pentylphenyl)ethanone (PubChem CID 174356985) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1H-imidazole;1-(4-pentylphenyl)ethanone.

Molecular Properties

Compound Name1H-imidazole;1-(4-pentylphenyl)ethanone
PubChem CID174356985
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1H-imidazole;1-(4-pentylphenyl)ethanone
SMILESCCCCCc1ccc(C(C)=O)cc1.c1c[nH]cn1
InChIInChI=1S/C13H18O.C3H4N2/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14;1-2-5-3-4-1/h7-10H,3-6H2,1-2H3;1-3H,(H,4,5)
InChIKeyARIJHEJRVVFTLZ-UHFFFAOYSA-N
XLogP4.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone
CID 97356056
1-[4-(4-hydroxybutyl)phenyl]ethanone
CID 14995223
4-pentylbenzoyl bromide
CID 87349955
sodium 4-decylbenzoate
CID 68743346
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
2,2,2-trideuterio-1-[4-(4-heptylphenyl)phenyl]ethanone
CID 11369973
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
(4-pentylbenzoyl) 4-pentylbenzoate
CID 12513442
1-(4-pentylphenyl)ethanethione
CID 145379251
4-octylbenzamide;hydrochloride
CID 131740255

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1-(4-pentylphenyl)ethanone?
The IUPAC name of 1H-imidazole;1-(4-pentylphenyl)ethanone (CID 174356985) is 1H-imidazole;1-(4-pentylphenyl)ethanone.
What is the SMILES notation for 1H-imidazole;1-(4-pentylphenyl)ethanone?
The canonical SMILES for 1H-imidazole;1-(4-pentylphenyl)ethanone is CCCCCc1ccc(C(C)=O)cc1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;1-(4-pentylphenyl)ethanone?
The InChIKey is ARIJHEJRVVFTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C3H4N2/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14;1-2-5-3-4-1/h7-10H,3-6H2,1-2H3;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;1-(4-pentylphenyl)ethanone?
1H-imidazole;1-(4-pentylphenyl)ethanone has a molecular weight of 258.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1-(4-pentylphenyl)ethanone is sourced from PubChem (CID 174356985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).