2-methyl-1-(2-propyloctyl)imidazole

C15H28N2 — CID 129095576

IUPAC2-methyl-1-(2-propyloctyl)imidazole
SMILESCCCCCCC(CCC)Cn1ccnc1C
InChIInChI=1S/C15H28N2/c1-4-6-7-8-10-15(9-5-2)13-17-12-11-16-14(17)3/h11-12,15H,4-10,13H2,1-3H3
InChIKeyXRUIGOLBFORPPL-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.58
Rot. Bonds9

About 2-methyl-1-(2-propyloctyl)imidazole

2-methyl-1-(2-propyloctyl)imidazole (PubChem CID 129095576) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-methyl-1-(2-propyloctyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(2-propyloctyl)imidazole
PubChem CID129095576
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-methyl-1-(2-propyloctyl)imidazole
SMILESCCCCCCC(CCC)Cn1ccnc1C
InChIInChI=1S/C15H28N2/c1-4-6-7-8-10-15(9-5-2)13-17-12-11-16-14(17)3/h11-12,15H,4-10,13H2,1-3H3
InChIKeyXRUIGOLBFORPPL-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.58
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 2-methyl-1-(2-propyloctyl)imidazole?
The IUPAC name of 2-methyl-1-(2-propyloctyl)imidazole (CID 129095576) is 2-methyl-1-(2-propyloctyl)imidazole.
What is the SMILES notation for 2-methyl-1-(2-propyloctyl)imidazole?
The canonical SMILES for 2-methyl-1-(2-propyloctyl)imidazole is CCCCCCC(CCC)Cn1ccnc1C.
What is the InChIKey of 2-methyl-1-(2-propyloctyl)imidazole?
The InChIKey is XRUIGOLBFORPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-7-8-10-15(9-5-2)13-17-12-11-16-14(17)3/h11-12,15H,4-10,13H2,1-3H3.
What are the key properties of 2-methyl-1-(2-propyloctyl)imidazole?
2-methyl-1-(2-propyloctyl)imidazole has a molecular weight of 236.40 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propyloctyl)imidazole is sourced from PubChem (CID 129095576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).