1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole

C18H36N4 — CID 175563212

IUPAC1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole
SMILESCCCCN1CN(C)C(C)=C1C.CCN1CN(C)C(C)=C1C
InChIInChI=1S/C10H20N2.C8H16N2/c1-5-6-7-12-8-11(4)9(2)10(12)3;1-5-10-6-9(4)7(2)8(10)3/h5-8H2,1-4H3;5-6H2,1-4H3
InChIKeyZXYMOSXPKFAKDX-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.71
Rot. Bonds4

About 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole

1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole (PubChem CID 175563212) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole
PubChem CID175563212
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole
SMILESCCCCN1CN(C)C(C)=C1C.CCN1CN(C)C(C)=C1C
InChIInChI=1S/C10H20N2.C8H16N2/c1-5-6-7-12-8-11(4)9(2)10(12)3;1-5-10-6-9(4)7(2)8(10)3/h5-8H2,1-4H3;5-6H2,1-4H3
InChIKeyZXYMOSXPKFAKDX-UHFFFAOYSA-N
XLogP3.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1,3-dibutylimidazolidin-2-one
CID 20887
1,4-dibutylpiperazine-2,5-dione
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1-methyl-3-nonyl-2H-benzimidazole
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4-butyl-1,2-diethyl-1,2,4-triazolidine
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1-butyl-3-methyl-1,3-diazetidine
CID 54539532
1-butyl-2,4-dimethyl-4,5-dihydroimidazole
CID 71402158
2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide
CID 175437358
2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole?
The IUPAC name of 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole (CID 175563212) is 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole?
The canonical SMILES for 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole is CCCCN1CN(C)C(C)=C1C.CCN1CN(C)C(C)=C1C.
What is the InChIKey of 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole?
The InChIKey is ZXYMOSXPKFAKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C8H16N2/c1-5-6-7-12-8-11(4)9(2)10(12)3;1-5-10-6-9(4)7(2)8(10)3/h5-8H2,1-4H3;5-6H2,1-4H3.
What are the key properties of 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole?
1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole has a molecular weight of 308.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole is sourced from PubChem (CID 175563212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).