1-(13,13,13-trimethoxytridecyl)imidazole

C19H36N2O3 — CID 151189637

IUPAC1-(13,13,13-trimethoxytridecyl)imidazole
SMILESCOC(CCCCCCCCCCCCn1ccnc1)(OC)OC
InChIInChI=1S/C19H36N2O3/c1-22-19(23-2,24-3)14-12-10-8-6-4-5-7-9-11-13-16-21-17-15-20-18-21/h15,17-18H,4-14,16H2,1-3H3
InChIKeyNGAPGWVAUSAVQX-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.77
Rot. Bonds16

About 1-(13,13,13-trimethoxytridecyl)imidazole

1-(13,13,13-trimethoxytridecyl)imidazole (PubChem CID 151189637) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(13,13,13-trimethoxytridecyl)imidazole.

Molecular Properties

Compound Name1-(13,13,13-trimethoxytridecyl)imidazole
PubChem CID151189637
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name1-(13,13,13-trimethoxytridecyl)imidazole
SMILESCOC(CCCCCCCCCCCCn1ccnc1)(OC)OC
InChIInChI=1S/C19H36N2O3/c1-22-19(23-2,24-3)14-12-10-8-6-4-5-7-9-11-13-16-21-17-15-20-18-21/h15,17-18H,4-14,16H2,1-3H3
InChIKeyNGAPGWVAUSAVQX-UHFFFAOYSA-N
XLogP4.77
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(11,11-dimethyldodecyl)imidazole
CID 118887404
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
1-nonylimidazole;hydrobromide
CID 175434544
1-(13-ethoxytridecyl)imidazole
CID 145255635
7-imidazol-1-ylheptane-1-thiol
CID 156850258
1-(7-methyloctyl)imidazole
CID 59001100
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
carbonic acid;1-dodecylimidazole
CID 175596781
methyl dihydrogen phosphite;1-pentylimidazole
CID 174884184
1-(2-methoxyethyl)imidazole
CID 14366840
1,1,1,9,9,9-hexamethoxynonane
CID 161375349

Frequently Asked Questions

What is the IUPAC name of 1-(13,13,13-trimethoxytridecyl)imidazole?
The IUPAC name of 1-(13,13,13-trimethoxytridecyl)imidazole (CID 151189637) is 1-(13,13,13-trimethoxytridecyl)imidazole.
What is the SMILES notation for 1-(13,13,13-trimethoxytridecyl)imidazole?
The canonical SMILES for 1-(13,13,13-trimethoxytridecyl)imidazole is COC(CCCCCCCCCCCCn1ccnc1)(OC)OC.
What is the InChIKey of 1-(13,13,13-trimethoxytridecyl)imidazole?
The InChIKey is NGAPGWVAUSAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-22-19(23-2,24-3)14-12-10-8-6-4-5-7-9-11-13-16-21-17-15-20-18-21/h15,17-18H,4-14,16H2,1-3H3.
What are the key properties of 1-(13,13,13-trimethoxytridecyl)imidazole?
1-(13,13,13-trimethoxytridecyl)imidazole has a molecular weight of 340.51 g/mol, XLogP of 4.77, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(13,13,13-trimethoxytridecyl)imidazole is sourced from PubChem (CID 151189637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).