1-[8-(2-cyclohexylethoxy)octyl]imidazole

C19H34N2O — CID 54118364

IUPAC1-[8-(2-cyclohexylethoxy)octyl]imidazole
SMILESc1cn(CCCCCCCCOCCC2CCCCC2)cn1
InChIInChI=1S/C19H34N2O/c1(3-8-14-21-15-13-20-18-21)2-4-9-16-22-17-12-19-10-6-5-7-11-19/h13,15,18-19H,1-12,14,16-17H2
InChIKeyNLXOBNPKBODMRC-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.21
Rot. Bonds12

About 1-[8-(2-cyclohexylethoxy)octyl]imidazole

1-[8-(2-cyclohexylethoxy)octyl]imidazole (PubChem CID 54118364) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-[8-(2-cyclohexylethoxy)octyl]imidazole.

Molecular Properties

Compound Name1-[8-(2-cyclohexylethoxy)octyl]imidazole
PubChem CID54118364
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name1-[8-(2-cyclohexylethoxy)octyl]imidazole
SMILESc1cn(CCCCCCCCOCCC2CCCCC2)cn1
InChIInChI=1S/C19H34N2O/c1(3-8-14-21-15-13-20-18-21)2-4-9-16-22-17-12-19-10-6-5-7-11-19/h13,15,18-19H,1-12,14,16-17H2
InChIKeyNLXOBNPKBODMRC-UHFFFAOYSA-N
XLogP5.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.21
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

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CID 114796227
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
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CID 114136924
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(cyclooctylmethyl)imidazole
CID 20550238
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
6-cyclohexyl-1-imidazol-1-ylhexan-2-one
CID 57292403
1-heptadecoxy-4-(2-imidazol-1-ylethyl)piperidine
CID 23052323
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
CID 106565971
2-(6-bromohexoxy)ethylcyclohexane
CID 19987546

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-cyclohexylethoxy)octyl]imidazole?
The IUPAC name of 1-[8-(2-cyclohexylethoxy)octyl]imidazole (CID 54118364) is 1-[8-(2-cyclohexylethoxy)octyl]imidazole.
What is the SMILES notation for 1-[8-(2-cyclohexylethoxy)octyl]imidazole?
The canonical SMILES for 1-[8-(2-cyclohexylethoxy)octyl]imidazole is c1cn(CCCCCCCCOCCC2CCCCC2)cn1.
What is the InChIKey of 1-[8-(2-cyclohexylethoxy)octyl]imidazole?
The InChIKey is NLXOBNPKBODMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1(3-8-14-21-15-13-20-18-21)2-4-9-16-22-17-12-19-10-6-5-7-11-19/h13,15,18-19H,1-12,14,16-17H2.
What are the key properties of 1-[8-(2-cyclohexylethoxy)octyl]imidazole?
1-[8-(2-cyclohexylethoxy)octyl]imidazole has a molecular weight of 306.49 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-cyclohexylethoxy)octyl]imidazole is sourced from PubChem (CID 54118364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).