1,2-di(pentadecyl)imidazole

C33H64N2 — CID 69388452

IUPAC1,2-di(pentadecyl)imidazole
SMILESCCCCCCCCCCCCCCCc1nccn1CCCCCCCCCCCCCCC
InChIInChI=1S/C33H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-34-30-32-35(33)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30,32H,3-29,31H2,1-2H3
InChIKeyDZVNIWGBNUTFOK-UHFFFAOYSA-N
MW488.89 g/mol
LogP11.61
Rot. Bonds28

About 1,2-di(pentadecyl)imidazole

1,2-di(pentadecyl)imidazole (PubChem CID 69388452) has the molecular formula C33H64N2 and a molecular weight of 488.89 g/mol. Its IUPAC name is 1,2-di(pentadecyl)imidazole.

Molecular Properties

Compound Name1,2-di(pentadecyl)imidazole
PubChem CID69388452
Molecular FormulaC33H64N2
Molecular Weight488.89 g/mol
Exact Mass488.51
IUPAC Name1,2-di(pentadecyl)imidazole
SMILESCCCCCCCCCCCCCCCc1nccn1CCCCCCCCCCCCCCC
InChIInChI=1S/C33H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-34-30-32-35(33)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30,32H,3-29,31H2,1-2H3
InChIKeyDZVNIWGBNUTFOK-UHFFFAOYSA-N
XLogP11.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.89
LogP ≤ 511.61
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-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
(2-hexylimidazol-1-yl)methanamine
CID 141279127
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627
3-(1-butylimidazol-2-yl)-N,N-bis[3-(1-butylimidazol-2-yl)propyl]propan-1-amine
CID 140833527
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141

Frequently Asked Questions

What is the IUPAC name of 1,2-di(pentadecyl)imidazole?
The IUPAC name of 1,2-di(pentadecyl)imidazole (CID 69388452) is 1,2-di(pentadecyl)imidazole.
What is the SMILES notation for 1,2-di(pentadecyl)imidazole?
The canonical SMILES for 1,2-di(pentadecyl)imidazole is CCCCCCCCCCCCCCCc1nccn1CCCCCCCCCCCCCCC.
What is the InChIKey of 1,2-di(pentadecyl)imidazole?
The InChIKey is DZVNIWGBNUTFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-34-30-32-35(33)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30,32H,3-29,31H2,1-2H3.
What are the key properties of 1,2-di(pentadecyl)imidazole?
1,2-di(pentadecyl)imidazole has a molecular weight of 488.89 g/mol, XLogP of 11.61, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(pentadecyl)imidazole is sourced from PubChem (CID 69388452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).