1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole

C17H30N4 — CID 67843040

IUPAC1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole
SMILESCCCCn1c(C)nc(C)c1C.Cc1nc(C)n(C)c1C
InChIInChI=1S/C10H18N2.C7H12N2/c1-5-6-7-12-9(3)8(2)11-10(12)4;1-5-6(2)9(4)7(3)8-5/h5-7H2,1-4H3;1-4H3
InChIKeyFHDQDBQDISNPPQ-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.95
Rot. Bonds3

About 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole

1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole (PubChem CID 67843040) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole.

Molecular Properties

Compound Name1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole
PubChem CID67843040
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole
SMILESCCCCn1c(C)nc(C)c1C.Cc1nc(C)n(C)c1C
InChIInChI=1S/C10H18N2.C7H12N2/c1-5-6-7-12-9(3)8(2)11-10(12)4;1-5-6(2)9(4)7(3)8-5/h5-7H2,1-4H3;1-4H3
InChIKeyFHDQDBQDISNPPQ-UHFFFAOYSA-N
XLogP3.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole?
The IUPAC name of 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole (CID 67843040) is 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole.
What is the SMILES notation for 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole?
The canonical SMILES for 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole is CCCCn1c(C)nc(C)c1C.Cc1nc(C)n(C)c1C.
What is the InChIKey of 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole?
The InChIKey is FHDQDBQDISNPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C7H12N2/c1-5-6-7-12-9(3)8(2)11-10(12)4;1-5-6(2)9(4)7(3)8-5/h5-7H2,1-4H3;1-4H3.
What are the key properties of 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole?
1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole has a molecular weight of 290.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,4,5-trimethylimidazole;1,2,4,5-tetramethylimidazole is sourced from PubChem (CID 67843040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).