1,4,5-trimethyl-3-octyl-2H-imidazole

C14H28N2 — CID 21321827

IUPAC1,4,5-trimethyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1CN(C)C(C)=C1C
InChIInChI=1S/C14H28N2/c1-5-6-7-8-9-10-11-16-12-15(4)13(2)14(16)3/h5-12H2,1-4H3
InChIKeyVRQAYEKWRUXKLP-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.80
Rot. Bonds7

About 1,4,5-trimethyl-3-octyl-2H-imidazole

1,4,5-trimethyl-3-octyl-2H-imidazole (PubChem CID 21321827) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,4,5-trimethyl-3-octyl-2H-imidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-3-octyl-2H-imidazole
PubChem CID21321827
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1,4,5-trimethyl-3-octyl-2H-imidazole
SMILESCCCCCCCCN1CN(C)C(C)=C1C
InChIInChI=1S/C14H28N2/c1-5-6-7-8-9-10-11-16-12-15(4)13(2)14(16)3/h5-12H2,1-4H3
InChIKeyVRQAYEKWRUXKLP-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.80
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-butyl-2,3,4,5-tetramethyl-2H-imidazole
CID 22721378
1-butyl-3,4,5-trimethyl-2H-imidazole
CID 23065778
1,4-dimethyl-3-octyl-2H-imidazole
CID 66679066
1-hexyl-2,3,4,5-tetramethyl-2H-imidazole
CID 68589641
1,2,4,5-tetramethyl-3-pentyl-2H-imidazole
CID 68589687
1-decyl-3,4,5-trimethyl-2H-imidazole
CID 68896282
1-dodecyl-3,4,5-trimethyl-2H-imidazole
CID 68897565
1-hexyl-3,4,5-trimethyl-2H-imidazole
CID 68899164
1-hexadecyl-3,4,5-trimethyl-2H-imidazole
CID 68968016
13,15-Dimethyl-1,12-diazabicyclo[10.2.1]pentadec-13-ene
CID 91061874
1,4,5-trimethyl-3-tetradecyl-2H-imidazole
CID 91543512
1,4,5-trimethyl-3-octadecyl-2H-imidazole
CID 91551336

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-3-octyl-2H-imidazole?
The IUPAC name of 1,4,5-trimethyl-3-octyl-2H-imidazole (CID 21321827) is 1,4,5-trimethyl-3-octyl-2H-imidazole.
What is the SMILES notation for 1,4,5-trimethyl-3-octyl-2H-imidazole?
The canonical SMILES for 1,4,5-trimethyl-3-octyl-2H-imidazole is CCCCCCCCN1CN(C)C(C)=C1C.
What is the InChIKey of 1,4,5-trimethyl-3-octyl-2H-imidazole?
The InChIKey is VRQAYEKWRUXKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-7-8-9-10-11-16-12-15(4)13(2)14(16)3/h5-12H2,1-4H3.
What are the key properties of 1,4,5-trimethyl-3-octyl-2H-imidazole?
1,4,5-trimethyl-3-octyl-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-3-octyl-2H-imidazole is sourced from PubChem (CID 21321827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).