1-decyl-2-methyl-3-tridecyl-2H-imidazole

C27H54N2 — CID 69388587

IUPAC1-decyl-2-methyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1C
InChIInChI=1S/C27H54N2/c1-4-6-8-10-12-14-15-16-18-20-22-24-29-26-25-28(27(29)3)23-21-19-17-13-11-9-7-5-2/h25-27H,4-24H2,1-3H3
InChIKeyPFCFZZKZINUPNR-UHFFFAOYSA-N
MW406.74 g/mol
LogP8.87
Rot. Bonds21

About 1-decyl-2-methyl-3-tridecyl-2H-imidazole

1-decyl-2-methyl-3-tridecyl-2H-imidazole (PubChem CID 69388587) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 1-decyl-2-methyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name1-decyl-2-methyl-3-tridecyl-2H-imidazole
PubChem CID69388587
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC Name1-decyl-2-methyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1C
InChIInChI=1S/C27H54N2/c1-4-6-8-10-12-14-15-16-18-20-22-24-29-26-25-28(27(29)3)23-21-19-17-13-11-9-7-5-2/h25-27H,4-24H2,1-3H3
InChIKeyPFCFZZKZINUPNR-UHFFFAOYSA-N
XLogP8.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 58.87
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-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686
1-ethyl-3-heptadecyl-2-methyl-2H-imidazole
CID 69396423
1-decyl-3-ethyl-2-methyl-2H-imidazole
CID 69393103
1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-methyl-3-tridecyl-2H-imidazole?
The IUPAC name of 1-decyl-2-methyl-3-tridecyl-2H-imidazole (CID 69388587) is 1-decyl-2-methyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 1-decyl-2-methyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 1-decyl-2-methyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1C.
What is the InChIKey of 1-decyl-2-methyl-3-tridecyl-2H-imidazole?
The InChIKey is PFCFZZKZINUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-4-6-8-10-12-14-15-16-18-20-22-24-29-26-25-28(27(29)3)23-21-19-17-13-11-9-7-5-2/h25-27H,4-24H2,1-3H3.
What are the key properties of 1-decyl-2-methyl-3-tridecyl-2H-imidazole?
1-decyl-2-methyl-3-tridecyl-2H-imidazole has a molecular weight of 406.74 g/mol, XLogP of 8.87, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-methyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69388587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).