1-butyl-4-methylimidazole

C8H14N2 — CID 529330

IUPAC1-butyl-4-methylimidazole
SMILESCCCCn1cnc(C)c1
InChIInChI=1S/C8H14N2/c1-3-4-5-10-6-8(2)9-7-10/h6-7H,3-5H2,1-2H3
InChIKeyAEMJJEJBDDKEPC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.99
Rot. Bonds3

About 1-butyl-4-methylimidazole

1-butyl-4-methylimidazole (PubChem CID 529330) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-butyl-4-methylimidazole.

Molecular Properties

Compound Name1-butyl-4-methylimidazole
PubChem CID529330
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-butyl-4-methylimidazole
SMILESCCCCn1cnc(C)c1
InChIInChI=1S/C8H14N2/c1-3-4-5-10-6-8(2)9-7-10/h6-7H,3-5H2,1-2H3
InChIKeyAEMJJEJBDDKEPC-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylimidazole?
The IUPAC name of 1-butyl-4-methylimidazole (CID 529330) is 1-butyl-4-methylimidazole.
What is the SMILES notation for 1-butyl-4-methylimidazole?
The canonical SMILES for 1-butyl-4-methylimidazole is CCCCn1cnc(C)c1.
What is the InChIKey of 1-butyl-4-methylimidazole?
The InChIKey is AEMJJEJBDDKEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-10-6-8(2)9-7-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-butyl-4-methylimidazole?
1-butyl-4-methylimidazole has a molecular weight of 138.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylimidazole is sourced from PubChem (CID 529330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).