1-butyl-2-methyl-4-(3-methylbutyl)imidazole

C13H24N2 — CID 175413043

IUPAC1-butyl-2-methyl-4-(3-methylbutyl)imidazole
SMILESCCCCn1cc(CCC(C)C)nc1C
InChIInChI=1S/C13H24N2/c1-5-6-9-15-10-13(14-12(15)4)8-7-11(2)3/h10-11H,5-9H2,1-4H3
InChIKeyWQMKNGDGGDWCNT-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.58
Rot. Bonds6

About 1-butyl-2-methyl-4-(3-methylbutyl)imidazole

1-butyl-2-methyl-4-(3-methylbutyl)imidazole (PubChem CID 175413043) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-butyl-2-methyl-4-(3-methylbutyl)imidazole.

Molecular Properties

Compound Name1-butyl-2-methyl-4-(3-methylbutyl)imidazole
PubChem CID175413043
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-butyl-2-methyl-4-(3-methylbutyl)imidazole
SMILESCCCCn1cc(CCC(C)C)nc1C
InChIInChI=1S/C13H24N2/c1-5-6-9-15-10-13(14-12(15)4)8-7-11(2)3/h10-11H,5-9H2,1-4H3
InChIKeyWQMKNGDGGDWCNT-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-didecyl-2-methylimidazole;hydrobromide
CID 173322060
1-butyl-2,4-dimethylimidazole
CID 69009415
1-heptadecyl-2-methyl-4-(3-phenylpropyl)imidazole
CID 69405660
4-benzyl-1-dodecyl-2-methylimidazole
CID 174200825
2,4-dimethyl-1-pentylimidazole
CID 134592157
1,2-dimethyl-4-octylimidazole
CID 118062821
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
1-butyl-2-methyl-4-nitroimidazole
CID 2801466
1-butyl-4-(3-methylbutoxy)-2-phenylimidazole
CID 20978281
4-chloro-1-hexyl-2-methylimidazole
CID 56634054
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
2-methyl-4-propan-2-yl-1-propylimidazole
CID 58592748

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-4-(3-methylbutyl)imidazole?
The IUPAC name of 1-butyl-2-methyl-4-(3-methylbutyl)imidazole (CID 175413043) is 1-butyl-2-methyl-4-(3-methylbutyl)imidazole.
What is the SMILES notation for 1-butyl-2-methyl-4-(3-methylbutyl)imidazole?
The canonical SMILES for 1-butyl-2-methyl-4-(3-methylbutyl)imidazole is CCCCn1cc(CCC(C)C)nc1C.
What is the InChIKey of 1-butyl-2-methyl-4-(3-methylbutyl)imidazole?
The InChIKey is WQMKNGDGGDWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-6-9-15-10-13(14-12(15)4)8-7-11(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-butyl-2-methyl-4-(3-methylbutyl)imidazole?
1-butyl-2-methyl-4-(3-methylbutyl)imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-4-(3-methylbutyl)imidazole is sourced from PubChem (CID 175413043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).