1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole

C31H62N2 — CID 69389602

IUPAC1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCC1N(C)C=CN1CCCCCCCCCCCC
InChIInChI=1S/C31H62N2/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-31-32(3)29-30-33(31)28-26-24-22-20-15-13-11-9-7-5-2/h29-31H,4-28H2,1-3H3
InChIKeyAFTIQQVTHNCLRW-UHFFFAOYSA-N
MW462.85 g/mol
LogP10.43
Rot. Bonds25

About 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole

1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole (PubChem CID 69389602) has the molecular formula C31H62N2 and a molecular weight of 462.85 g/mol. Its IUPAC name is 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole.

Molecular Properties

Compound Name1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
PubChem CID69389602
Molecular FormulaC31H62N2
Molecular Weight462.85 g/mol
Exact Mass462.49
IUPAC Name1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCC1N(C)C=CN1CCCCCCCCCCCC
InChIInChI=1S/C31H62N2/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-31-32(3)29-30-33(31)28-26-24-22-20-15-13-11-9-7-5-2/h29-31H,4-28H2,1-3H3
InChIKeyAFTIQQVTHNCLRW-UHFFFAOYSA-N
XLogP10.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 510.43
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-methyl-2,3-di(nonyl)-2H-imidazole
CID 69396034
2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
CID 69392391
2-heptyl-1-methyl-3-pentyl-2H-imidazole
CID 69387496
2-butyl-1-methyl-3-octyl-2H-imidazole
CID 69390542
2-butyl-1-dodecyl-3-methyl-2H-imidazole
CID 69393708
1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid
CID 174520441
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682
1-heptadecyl-2,3-dioctadecyl-2H-imidazole
CID 69389469
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132
1-heptyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69392232
2-heptyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69388972

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole?
The IUPAC name of 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole (CID 69389602) is 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole.
What is the SMILES notation for 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole?
The canonical SMILES for 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole is CCCCCCCCCCCCCCCC1N(C)C=CN1CCCCCCCCCCCC.
What is the InChIKey of 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole?
The InChIKey is AFTIQQVTHNCLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-31-32(3)29-30-33(31)28-26-24-22-20-15-13-11-9-7-5-2/h29-31H,4-28H2,1-3H3.
What are the key properties of 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole?
1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole has a molecular weight of 462.85 g/mol, XLogP of 10.43, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole is sourced from PubChem (CID 69389602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).