1-methyl-2-undecyl-4,5-dihydroimidazole

C15H30N2 — CID 15158286

IUPAC1-methyl-2-undecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCC1=NCCN1C
InChIInChI=1S/C15H30N2/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17(15)2/h3-14H2,1-2H3
InChIKeyALRJQFCSYAWULA-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.25
Rot. Bonds10

About 1-methyl-2-undecyl-4,5-dihydroimidazole

1-methyl-2-undecyl-4,5-dihydroimidazole (PubChem CID 15158286) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-methyl-2-undecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-undecyl-4,5-dihydroimidazole
PubChem CID15158286
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-methyl-2-undecyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCC1=NCCN1C
InChIInChI=1S/C15H30N2/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17(15)2/h3-14H2,1-2H3
InChIKeyALRJQFCSYAWULA-UHFFFAOYSA-N
XLogP4.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-undecyl-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-undecyl-4,5-dihydroimidazole (CID 15158286) is 1-methyl-2-undecyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-undecyl-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-undecyl-4,5-dihydroimidazole is CCCCCCCCCCCC1=NCCN1C.
What is the InChIKey of 1-methyl-2-undecyl-4,5-dihydroimidazole?
The InChIKey is ALRJQFCSYAWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17(15)2/h3-14H2,1-2H3.
What are the key properties of 1-methyl-2-undecyl-4,5-dihydroimidazole?
1-methyl-2-undecyl-4,5-dihydroimidazole has a molecular weight of 238.42 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-undecyl-4,5-dihydroimidazole is sourced from PubChem (CID 15158286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).