1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole

C36H72N2 — CID 69394542

IUPAC1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCC1N(CC)C=CN1CCCCCCCCCCCCCCC
InChIInChI=1S/C36H72N2/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36-37(6-3)34-35-38(36)33-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h34-36H,4-33H2,1-3H3
InChIKeyXTTFSMCBGOMMAN-UHFFFAOYSA-N
MW532.99 g/mol
LogP12.38
Rot. Bonds30

About 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole

1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole (PubChem CID 69394542) has the molecular formula C36H72N2 and a molecular weight of 532.99 g/mol. Its IUPAC name is 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole
PubChem CID69394542
Molecular FormulaC36H72N2
Molecular Weight532.99 g/mol
Exact Mass532.57
IUPAC Name1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCC1N(CC)C=CN1CCCCCCCCCCCCCCC
InChIInChI=1S/C36H72N2/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36-37(6-3)34-35-38(36)33-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h34-36H,4-33H2,1-3H3
InChIKeyXTTFSMCBGOMMAN-UHFFFAOYSA-N
XLogP12.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.99
LogP ≤ 512.38
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-decyl-1-ethyl-3-heptadecyl-2H-imidazole
CID 69395677
2-dodecyl-1-ethyl-3-hexadecyl-2H-imidazole
CID 69391679
1-ethyl-3-hexyl-2-nonyl-2H-imidazole
CID 69393427
1-ethyl-2-hexyl-3-pentadecyl-2H-imidazole
CID 69387728
1-ethyl-3-nonyl-2-tridecyl-2H-imidazole
CID 69394952
1-ethyl-2-pentadecyl-3-undecyl-2H-imidazole
CID 69394280
1-dodecyl-3-ethyl-2-pentyl-2H-imidazole
CID 69392677
1-ethyl-3-heptadecyl-2-octyl-2H-imidazole
CID 69395926
1-ethyl-3-octyl-2-pentadecyl-2H-imidazole
CID 69396560
1-dodecyl-3-ethyl-2-tetradecyl-2H-imidazole
CID 69393662
1-ethyl-3-heptyl-2-nonadecyl-2H-imidazole
CID 69391689
1-butyl-3-ethyl-2-octyl-2H-imidazole
CID 69395296

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole?
The IUPAC name of 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole (CID 69394542) is 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole.
What is the SMILES notation for 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole?
The canonical SMILES for 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole is CCCCCCCCCCCCCCCCC1N(CC)C=CN1CCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole?
The InChIKey is XTTFSMCBGOMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36-37(6-3)34-35-38(36)33-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h34-36H,4-33H2,1-3H3.
What are the key properties of 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole?
1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole has a molecular weight of 532.99 g/mol, XLogP of 12.38, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hexadecyl-3-pentadecyl-2H-imidazole is sourced from PubChem (CID 69394542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).