imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone

C24H28N2O — CID 15951830

IUPACimidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
SMILESCCCCCCCCc1ccc(-c2ccc(C(=O)n3ccnc3)cc2)cc1
InChIInChI=1S/C24H28N2O/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)24(27)26-18-17-25-19-26/h9-19H,2-8H2,1H3
InChIKeyWUKFRVJYMGWRFT-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.14
Rot. Bonds9

About imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone

imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone (PubChem CID 15951830) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
PubChem CID15951830
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Nameimidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
SMILESCCCCCCCCc1ccc(-c2ccc(C(=O)n3ccnc3)cc2)cc1
InChIInChI=1S/C24H28N2O/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)24(27)26-18-17-25-19-26/h9-19H,2-8H2,1H3
InChIKeyWUKFRVJYMGWRFT-UHFFFAOYSA-N
XLogP6.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-dodecylphenyl)benzoic acid
CID 3092136
2-iodo-1-[4-(4-octylphenyl)phenyl]ethanone
CID 21028908
1-[4-(4-heptylphenyl)phenyl]propane-1,2-dione
CID 20673138
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2,2,2-trideuterio-1-[4-(4-heptylphenyl)phenyl]ethanone
CID 11369973
ethyl 4-(4-heptylphenyl)benzoate
CID 146004855
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
sodium 4-decylbenzoate
CID 68743346
1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
CID 20518561
hexyl 4-(4-heptylphenyl)benzoate
CID 70501068
(4-hexylphenyl) 4-(4-pentylphenyl)benzoate
CID 54371034
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone?
The IUPAC name of imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone (CID 15951830) is imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone.
What is the SMILES notation for imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone?
The canonical SMILES for imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone is CCCCCCCCc1ccc(-c2ccc(C(=O)n3ccnc3)cc2)cc1.
What is the InChIKey of imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone?
The InChIKey is WUKFRVJYMGWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)24(27)26-18-17-25-19-26/h9-19H,2-8H2,1H3.
What are the key properties of imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone?
imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone has a molecular weight of 360.50 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone is sourced from PubChem (CID 15951830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).