1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole

C46H92N2 — CID 69393336

IUPAC1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCC)C=CN1CCCCCCCCCCCCCC
InChIInChI=1S/C46H92N2/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-32-35-38-41-46-47(42-39-36-33-18-15-12-9-6-3)44-45-48(46)43-40-37-34-31-29-22-20-17-14-11-8-5-2/h44-46H,4-43H2,1-3H3
InChIKeyHJQTVBBMQFTYLP-UHFFFAOYSA-N
MW673.26 g/mol
LogP16.28
Rot. Bonds40

About 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole

1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole (PubChem CID 69393336) has the molecular formula C46H92N2 and a molecular weight of 673.26 g/mol. Its IUPAC name is 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole.

Molecular Properties

Compound Name1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
PubChem CID69393336
Molecular FormulaC46H92N2
Molecular Weight673.26 g/mol
Exact Mass672.73
IUPAC Name1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCC)C=CN1CCCCCCCCCCCCCC
InChIInChI=1S/C46H92N2/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-32-35-38-41-46-47(42-39-36-33-18-15-12-9-6-3)44-45-48(46)43-40-37-34-31-29-22-20-17-14-11-8-5-2/h44-46H,4-43H2,1-3H3
InChIKeyHJQTVBBMQFTYLP-UHFFFAOYSA-N
XLogP16.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds40
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.26
LogP ≤ 516.28
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

1-nonadecyl-2,3-di(tridecyl)-2H-imidazole
CID 69396059
2-heptadecyl-1-heptyl-3-tridecyl-2H-imidazole
CID 69392439
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
CID 69395781
2-hexyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69389120
2-heptyl-1-hexyl-3-undecyl-2H-imidazole
CID 69389908
2-decyl-1-hexyl-3-octyl-2H-imidazole
CID 69390562
2-octyl-1-pentyl-3-tridecyl-2H-imidazole
CID 69392381
2-hexyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69389447
1-dodecyl-2,3-dioctadecyl-2H-imidazole
CID 69396437
1,3-dihexyl-2-octadecyl-2H-imidazole
CID 69391687
1-hexadecyl-3-pentyl-2-undecyl-2H-imidazole
CID 69391035
1-dodecyl-2-hexyl-3-nonadecyl-2H-imidazole
CID 69390490

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole?
The IUPAC name of 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole (CID 69393336) is 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole.
What is the SMILES notation for 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole?
The canonical SMILES for 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole is CCCCCCCCCCCCCCCCCCCC1N(CCCCCCCCCC)C=CN1CCCCCCCCCCCCCC.
What is the InChIKey of 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole?
The InChIKey is HJQTVBBMQFTYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H92N2/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-32-35-38-41-46-47(42-39-36-33-18-15-12-9-6-3)44-45-48(46)43-40-37-34-31-29-22-20-17-14-11-8-5-2/h44-46H,4-43H2,1-3H3.
What are the key properties of 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole?
1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole has a molecular weight of 673.26 g/mol, XLogP of 16.28, 40 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole is sourced from PubChem (CID 69393336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).