3,5,5-trimethyl-2-undecyl-4H-imidazole

C17H34N2 — CID 19843975

IUPAC3,5,5-trimethyl-2-undecyl-4H-imidazole
SMILESCCCCCCCCCCCC1=NC(C)(C)CN1C
InChIInChI=1S/C17H34N2/c1-5-6-7-8-9-10-11-12-13-14-16-18-17(2,3)15-19(16)4/h5-15H2,1-4H3
InChIKeyFNZAUATUVZJWHY-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.03
Rot. Bonds10

About 3,5,5-trimethyl-2-undecyl-4H-imidazole

3,5,5-trimethyl-2-undecyl-4H-imidazole (PubChem CID 19843975) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3,5,5-trimethyl-2-undecyl-4H-imidazole.

Molecular Properties

Compound Name3,5,5-trimethyl-2-undecyl-4H-imidazole
PubChem CID19843975
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3,5,5-trimethyl-2-undecyl-4H-imidazole
SMILESCCCCCCCCCCCC1=NC(C)(C)CN1C
InChIInChI=1S/C17H34N2/c1-5-6-7-8-9-10-11-12-13-14-16-18-17(2,3)15-19(16)4/h5-15H2,1-4H3
InChIKeyFNZAUATUVZJWHY-UHFFFAOYSA-N
XLogP5.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-4,4-dimethyl-5H-1,3-thiazole
CID 102476975
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine
CID 11031112
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
CID 143317146
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
CID 90309566
CID 90309566
3,4,5-trioctyl-2H-tetrazole
CID 67046438
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-2-undecyl-4H-imidazole?
The IUPAC name of 3,5,5-trimethyl-2-undecyl-4H-imidazole (CID 19843975) is 3,5,5-trimethyl-2-undecyl-4H-imidazole.
What is the SMILES notation for 3,5,5-trimethyl-2-undecyl-4H-imidazole?
The canonical SMILES for 3,5,5-trimethyl-2-undecyl-4H-imidazole is CCCCCCCCCCCC1=NC(C)(C)CN1C.
What is the InChIKey of 3,5,5-trimethyl-2-undecyl-4H-imidazole?
The InChIKey is FNZAUATUVZJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-6-7-8-9-10-11-12-13-14-16-18-17(2,3)15-19(16)4/h5-15H2,1-4H3.
What are the key properties of 3,5,5-trimethyl-2-undecyl-4H-imidazole?
3,5,5-trimethyl-2-undecyl-4H-imidazole has a molecular weight of 266.47 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-2-undecyl-4H-imidazole is sourced from PubChem (CID 19843975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).