2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole

C14H24N4 — CID 22146285

IUPAC2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
SMILESCCCCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1
InChIInChI=1S/C8H14N2.C6H10N2/c1-3-4-5-8-9-6-7(2)10-8;1-3-6-7-4-5(2)8-6/h6H,3-5H2,1-2H3,(H,9,10);4H,3H2,1-2H3,(H,7,8)
InChIKeyJZSWEFAIFHXSDL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.34
Rot. Bonds4

About 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole

2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole (PubChem CID 22146285) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
PubChem CID22146285
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole
SMILESCCCCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1
InChIInChI=1S/C8H14N2.C6H10N2/c1-3-4-5-8-9-6-7(2)10-8;1-3-6-7-4-5(2)8-6/h6H,3-5H2,1-2H3,(H,9,10);4H,3H2,1-2H3,(H,7,8)
InChIKeyJZSWEFAIFHXSDL-UHFFFAOYSA-N
XLogP3.34
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
The IUPAC name of 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole (CID 22146285) is 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole.
What is the SMILES notation for 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
The canonical SMILES for 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole is CCCCc1ncc(C)[nH]1.CCc1ncc(C)[nH]1.
What is the InChIKey of 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
The InChIKey is JZSWEFAIFHXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C6H10N2/c1-3-4-5-8-9-6-7(2)10-8;1-3-6-7-4-5(2)8-6/h6H,3-5H2,1-2H3,(H,9,10);4H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole?
2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole has a molecular weight of 248.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-1H-imidazole;2-ethyl-5-methyl-1H-imidazole is sourced from PubChem (CID 22146285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).