2-(10,10-dimethylundecoxy)-1H-imidazole

C16H30N2O — CID 150382579

IUPAC2-(10,10-dimethylundecoxy)-1H-imidazole
SMILESCC(C)(C)CCCCCCCCCOc1ncc[nH]1
InChIInChI=1S/C16H30N2O/c1-16(2,3)11-9-7-5-4-6-8-10-14-19-15-17-12-13-18-15/h12-13H,4-11,14H2,1-3H3,(H,17,18)
InChIKeyHAAWCWUBNMAJOK-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.96
Rot. Bonds10

About 2-(10,10-dimethylundecoxy)-1H-imidazole

2-(10,10-dimethylundecoxy)-1H-imidazole (PubChem CID 150382579) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(10,10-dimethylundecoxy)-1H-imidazole.

Molecular Properties

Compound Name2-(10,10-dimethylundecoxy)-1H-imidazole
PubChem CID150382579
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(10,10-dimethylundecoxy)-1H-imidazole
SMILESCC(C)(C)CCCCCCCCCOc1ncc[nH]1
InChIInChI=1S/C16H30N2O/c1-16(2,3)11-9-7-5-4-6-8-10-14-19-15-17-12-13-18-15/h12-13H,4-11,14H2,1-3H3,(H,17,18)
InChIKeyHAAWCWUBNMAJOK-UHFFFAOYSA-N
XLogP4.96
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.96
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

1H-imidazol-2-yloxymethanethiol
CID 151803159
1H-imidazol-2-yloxymethanamine
CID 145126650
2-methoxy-1H-imidazole
CID 19348571
1-[3-(1H-imidazol-2-yloxy)propyl]piperidine
CID 91011731
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
2-(nonoxymethyl)-1H-imidazole
CID 131844206
2-(2-methylhexan-2-yl)-1H-imidazole
CID 68747349
1-(5,5-dimethylhexoxy)octadecane
CID 172523117

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethylundecoxy)-1H-imidazole?
The IUPAC name of 2-(10,10-dimethylundecoxy)-1H-imidazole (CID 150382579) is 2-(10,10-dimethylundecoxy)-1H-imidazole.
What is the SMILES notation for 2-(10,10-dimethylundecoxy)-1H-imidazole?
The canonical SMILES for 2-(10,10-dimethylundecoxy)-1H-imidazole is CC(C)(C)CCCCCCCCCOc1ncc[nH]1.
What is the InChIKey of 2-(10,10-dimethylundecoxy)-1H-imidazole?
The InChIKey is HAAWCWUBNMAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)11-9-7-5-4-6-8-10-14-19-15-17-12-13-18-15/h12-13H,4-11,14H2,1-3H3,(H,17,18).
What are the key properties of 2-(10,10-dimethylundecoxy)-1H-imidazole?
2-(10,10-dimethylundecoxy)-1H-imidazole has a molecular weight of 266.43 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethylundecoxy)-1H-imidazole is sourced from PubChem (CID 150382579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).