dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole

C19H29FN3O3+ — CID 6333710

IUPACdihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole
SMILESCCCCCCCCC(Cn1ccnc1)c1ccc(F)cc1.O=[N+](O)O
InChIInChI=1S/C19H27FN2.H2NO3/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17;2-1(3)4/h9-14,16,18H,2-8,15H2,1H3;(H2,2,3,4)/q;+1
InChIKeyJTMRFSARFVOWCS-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.10
Rot. Bonds10

About dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole

dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole (PubChem CID 6333710) has the molecular formula C19H29FN3O3+ and a molecular weight of 366.46 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole.

Molecular Properties

Compound Namedihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole
PubChem CID6333710
Molecular FormulaC19H29FN3O3+
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Namedihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole
SMILESCCCCCCCCC(Cn1ccnc1)c1ccc(F)cc1.O=[N+](O)O
InChIInChI=1S/C19H27FN2.H2NO3/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17;2-1(3)4/h9-14,16,18H,2-8,15H2,1H3;(H2,2,3,4)/q;+1
InChIKeyJTMRFSARFVOWCS-UHFFFAOYSA-N
XLogP5.10
TPSA78.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole
CID 170562612
1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
CID 21415077
1-[4-(4-fluorophenyl)-2-octoxybutyl]imidazole
CID 21415280
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1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
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1-(1-chlorododecan-2-yl)-4-fluorobenzene
CID 79437415
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
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2-(4-fluorophenyl)heptan-1-amine
CID 79442393

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole?
The IUPAC name of dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole (CID 6333710) is dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole.
What is the SMILES notation for dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole?
The canonical SMILES for dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole is CCCCCCCCC(Cn1ccnc1)c1ccc(F)cc1.O=[N+](O)O.
What is the InChIKey of dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole?
The InChIKey is JTMRFSARFVOWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2.H2NO3/c1-2-3-4-5-6-7-8-18(15-22-14-13-21-16-22)17-9-11-19(20)12-10-17;2-1(3)4/h9-14,16,18H,2-8,15H2,1H3;(H2,2,3,4)/q;+1.
What are the key properties of dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole?
dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole has a molecular weight of 366.46 g/mol, XLogP of 5.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole is sourced from PubChem (CID 6333710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).