2,4,5-tributyl-1H-imidazole

C15H28N2 — CID 90214593

IUPAC2,4,5-tributyl-1H-imidazole
SMILESCCCCc1nc(CCCC)c(CCCC)[nH]1
InChIInChI=1S/C15H28N2/c1-4-7-10-13-14(11-8-5-2)17-15(16-13)12-9-6-3/h4-12H2,1-3H3,(H,16,17)
InChIKeyBEYJRXIJTOAZLY-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.44
Rot. Bonds9

About 2,4,5-tributyl-1H-imidazole

2,4,5-tributyl-1H-imidazole (PubChem CID 90214593) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,4,5-tributyl-1H-imidazole.

Molecular Properties

Compound Name2,4,5-tributyl-1H-imidazole
PubChem CID90214593
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2,4,5-tributyl-1H-imidazole
SMILESCCCCc1nc(CCCC)c(CCCC)[nH]1
InChIInChI=1S/C15H28N2/c1-4-7-10-13-14(11-8-5-2)17-15(16-13)12-9-6-3/h4-12H2,1-3H3,(H,16,17)
InChIKeyBEYJRXIJTOAZLY-UHFFFAOYSA-N
XLogP4.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tributyl-1H-imidazole?
The IUPAC name of 2,4,5-tributyl-1H-imidazole (CID 90214593) is 2,4,5-tributyl-1H-imidazole.
What is the SMILES notation for 2,4,5-tributyl-1H-imidazole?
The canonical SMILES for 2,4,5-tributyl-1H-imidazole is CCCCc1nc(CCCC)c(CCCC)[nH]1.
What is the InChIKey of 2,4,5-tributyl-1H-imidazole?
The InChIKey is BEYJRXIJTOAZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-7-10-13-14(11-8-5-2)17-15(16-13)12-9-6-3/h4-12H2,1-3H3,(H,16,17).
What are the key properties of 2,4,5-tributyl-1H-imidazole?
2,4,5-tributyl-1H-imidazole has a molecular weight of 236.40 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tributyl-1H-imidazole is sourced from PubChem (CID 90214593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).