1-[3-(cyclohexylmethoxy)tetradecyl]imidazole

C24H44N2O — CID 21398016

IUPAC1-[3-(cyclohexylmethoxy)tetradecyl]imidazole
SMILESCCCCCCCCCCCC(CCn1ccnc1)OCC1CCCCC1
InChIInChI=1S/C24H44N2O/c1-2-3-4-5-6-7-8-9-13-16-24(17-19-26-20-18-25-22-26)27-21-23-14-11-10-12-15-23/h18,20,22-24H,2-17,19,21H2,1H3
InChIKeyMUNRSQWDVWWUCQ-UHFFFAOYSA-N
MW376.63 g/mol
LogP7.16
Rot. Bonds16

About 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole

1-[3-(cyclohexylmethoxy)tetradecyl]imidazole (PubChem CID 21398016) has the molecular formula C24H44N2O and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxy)tetradecyl]imidazole
PubChem CID21398016
Molecular FormulaC24H44N2O
Molecular Weight376.63 g/mol
Exact Mass376.35
IUPAC Name1-[3-(cyclohexylmethoxy)tetradecyl]imidazole
SMILESCCCCCCCCCCCC(CCn1ccnc1)OCC1CCCCC1
InChIInChI=1S/C24H44N2O/c1-2-3-4-5-6-7-8-9-13-16-24(17-19-26-20-18-25-22-26)27-21-23-14-11-10-12-15-23/h18,20,22-24H,2-17,19,21H2,1H3
InChIKeyMUNRSQWDVWWUCQ-UHFFFAOYSA-N
XLogP7.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Imidazolium, 1-((1-cyclohexylethoxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705417
2-(Cyclohexylmethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 56877012
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
1-Imidazol-1-yloctadecan-2-ol
CID 22673124
cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
CID 155057396
1-methyl-3-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-1-ium
CID 11577366
16-Methyl-2-propan-2-yl-4-oxa-1-aza-13-azoniabicyclo[11.2.1]hexadeca-13(16),14-diene
CID 102331830
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole
CID 122394696
3-Cyclohexyloxymethyl-1-decylimidazolium propionate
CID 129850609
3-Cyclododecyloxymethyl-1-decylimidazolium chloride
CID 129850667
2-(1-Ethylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 105112270

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole?
The IUPAC name of 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole (CID 21398016) is 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole.
What is the SMILES notation for 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole?
The canonical SMILES for 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole is CCCCCCCCCCCC(CCn1ccnc1)OCC1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole?
The InChIKey is MUNRSQWDVWWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O/c1-2-3-4-5-6-7-8-9-13-16-24(17-19-26-20-18-25-22-26)27-21-23-14-11-10-12-15-23/h18,20,22-24H,2-17,19,21H2,1H3.
What are the key properties of 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole?
1-[3-(cyclohexylmethoxy)tetradecyl]imidazole has a molecular weight of 376.63 g/mol, XLogP of 7.16, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxy)tetradecyl]imidazole is sourced from PubChem (CID 21398016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).