2-methyl-1,3-dioctyl-2H-imidazole

C20H40N2 — CID 21393912

IUPAC2-methyl-1,3-dioctyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(CCCCCCCC)C1C
InChIInChI=1S/C20H40N2/c1-4-6-8-10-12-14-16-21-18-19-22(20(21)3)17-15-13-11-9-7-5-2/h18-20H,4-17H2,1-3H3
InChIKeyUKXHMCSVSWCEIJ-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.14
Rot. Bonds14

About 2-methyl-1,3-dioctyl-2H-imidazole

2-methyl-1,3-dioctyl-2H-imidazole (PubChem CID 21393912) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-methyl-1,3-dioctyl-2H-imidazole.

Molecular Properties

Compound Name2-methyl-1,3-dioctyl-2H-imidazole
PubChem CID21393912
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name2-methyl-1,3-dioctyl-2H-imidazole
SMILESCCCCCCCCN1C=CN(CCCCCCCC)C1C
InChIInChI=1S/C20H40N2/c1-4-6-8-10-12-14-16-21-18-19-22(20(21)3)17-15-13-11-9-7-5-2/h18-20H,4-17H2,1-3H3
InChIKeyUKXHMCSVSWCEIJ-UHFFFAOYSA-N
XLogP6.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.14
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-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-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
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 2-methyl-1,3-dioctyl-2H-imidazole?
The IUPAC name of 2-methyl-1,3-dioctyl-2H-imidazole (CID 21393912) is 2-methyl-1,3-dioctyl-2H-imidazole.
What is the SMILES notation for 2-methyl-1,3-dioctyl-2H-imidazole?
The canonical SMILES for 2-methyl-1,3-dioctyl-2H-imidazole is CCCCCCCCN1C=CN(CCCCCCCC)C1C.
What is the InChIKey of 2-methyl-1,3-dioctyl-2H-imidazole?
The InChIKey is UKXHMCSVSWCEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-4-6-8-10-12-14-16-21-18-19-22(20(21)3)17-15-13-11-9-7-5-2/h18-20H,4-17H2,1-3H3.
What are the key properties of 2-methyl-1,3-dioctyl-2H-imidazole?
2-methyl-1,3-dioctyl-2H-imidazole has a molecular weight of 308.55 g/mol, XLogP of 6.14, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioctyl-2H-imidazole is sourced from PubChem (CID 21393912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).