1-[10-(4-nitrophenoxy)decyl]imidazole

C19H27N3O3 — CID 13219131

IUPAC1-[10-(4-nitrophenoxy)decyl]imidazole
SMILESO=[N+]([O-])c1ccc(OCCCCCCCCCCn2ccnc2)cc1
InChIInChI=1S/C19H27N3O3/c23-22(24)18-9-11-19(12-10-18)25-16-8-6-4-2-1-3-5-7-14-21-15-13-20-17-21/h9-13,15,17H,1-8,14,16H2
InChIKeyJFEOEMHDOOHKSO-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.99
Rot. Bonds13

About 1-[10-(4-nitrophenoxy)decyl]imidazole

1-[10-(4-nitrophenoxy)decyl]imidazole (PubChem CID 13219131) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[10-(4-nitrophenoxy)decyl]imidazole.

Molecular Properties

Compound Name1-[10-(4-nitrophenoxy)decyl]imidazole
PubChem CID13219131
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[10-(4-nitrophenoxy)decyl]imidazole
SMILESO=[N+]([O-])c1ccc(OCCCCCCCCCCn2ccnc2)cc1
InChIInChI=1S/C19H27N3O3/c23-22(24)18-9-11-19(12-10-18)25-16-8-6-4-2-1-3-5-7-14-21-15-13-20-17-21/h9-13,15,17H,1-8,14,16H2
InChIKeyJFEOEMHDOOHKSO-UHFFFAOYSA-N
XLogP4.99
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imidazol-1-yl-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 61462949
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
4-[[4-(8-imidazol-1-yloctoxy)phenyl]diazenyl]benzonitrile
CID 101189546
2-(3-imidazol-1-ylpropyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 1414644
3-imidazol-1-yl-N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
CID 17155577
3-imidazol-1-yl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
CID 61494970
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
1-nitro-4-octadecoxybenzene
CID 4258205

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4-nitrophenoxy)decyl]imidazole?
The IUPAC name of 1-[10-(4-nitrophenoxy)decyl]imidazole (CID 13219131) is 1-[10-(4-nitrophenoxy)decyl]imidazole.
What is the SMILES notation for 1-[10-(4-nitrophenoxy)decyl]imidazole?
The canonical SMILES for 1-[10-(4-nitrophenoxy)decyl]imidazole is O=[N+]([O-])c1ccc(OCCCCCCCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[10-(4-nitrophenoxy)decyl]imidazole?
The InChIKey is JFEOEMHDOOHKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-22(24)18-9-11-19(12-10-18)25-16-8-6-4-2-1-3-5-7-14-21-15-13-20-17-21/h9-13,15,17H,1-8,14,16H2.
What are the key properties of 1-[10-(4-nitrophenoxy)decyl]imidazole?
1-[10-(4-nitrophenoxy)decyl]imidazole has a molecular weight of 345.44 g/mol, XLogP of 4.99, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4-nitrophenoxy)decyl]imidazole is sourced from PubChem (CID 13219131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).