2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone

C23H34N2O — CID 86036912

IUPAC2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone
SMILESCCCCCCCCCCCc1ccccc1C(=O)Cn1ccnc1C
InChIInChI=1S/C23H34N2O/c1-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)23(26)19-25-18-17-24-20(25)2/h12-13,15-18H,3-11,14,19H2,1-2H3
InChIKeyZDFNDGQODJBEPP-UHFFFAOYSA-N
MW354.54 g/mol
LogP6.15
Rot. Bonds13

About 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone

2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone (PubChem CID 86036912) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone
PubChem CID86036912
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone
SMILESCCCCCCCCCCCc1ccccc1C(=O)Cn1ccnc1C
InChIInChI=1S/C23H34N2O/c1-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)23(26)19-25-18-17-24-20(25)2/h12-13,15-18H,3-11,14,19H2,1-2H3
InChIKeyZDFNDGQODJBEPP-UHFFFAOYSA-N
XLogP6.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.15
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

1-(2-octadecylphenyl)butan-1-one
CID 174561443
1-(2-hexylphenyl)but-3-en-1-one
CID 174990996
2-octylbenzamide
CID 11148995
2-dodecylbenzenecarbothioic S-acid
CID 19748613
azane;2-octylbenzoic acid
CID 70171834
CID 159889030
CID 159889030
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797949
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
magnesium bis(2-hexylbenzoate)
CID 70520345
zinc bis(2-heptylbenzoate)
CID 101299904

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone (CID 86036912) is 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone is CCCCCCCCCCCc1ccccc1C(=O)Cn1ccnc1C.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone?
The InChIKey is ZDFNDGQODJBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-22(21)23(26)19-25-18-17-24-20(25)2/h12-13,15-18H,3-11,14,19H2,1-2H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone?
2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone has a molecular weight of 354.54 g/mol, XLogP of 6.15, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-(2-undecylphenyl)ethanone is sourced from PubChem (CID 86036912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).