1-butylimidazole;1-ethylimidazole;1-propylimidazole

C18H30N6 — CID 143151765

IUPAC1-butylimidazole;1-ethylimidazole;1-propylimidazole
SMILESCCCCn1ccnc1.CCCn1ccnc1.CCn1ccnc1
InChIInChI=1S/C7H12N2.C6H10N2.C5H8N2/c1-2-3-5-9-6-4-8-7-9;1-2-4-8-5-3-7-6-8;1-2-7-4-3-6-5-7/h4,6-7H,2-3,5H2,1H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3
InChIKeyJGAHEYBLMFRWFF-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.88
Rot. Bonds6

About 1-butylimidazole;1-ethylimidazole;1-propylimidazole

1-butylimidazole;1-ethylimidazole;1-propylimidazole (PubChem CID 143151765) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-butylimidazole;1-ethylimidazole;1-propylimidazole.

Molecular Properties

Compound Name1-butylimidazole;1-ethylimidazole;1-propylimidazole
PubChem CID143151765
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name1-butylimidazole;1-ethylimidazole;1-propylimidazole
SMILESCCCCn1ccnc1.CCCn1ccnc1.CCn1ccnc1
InChIInChI=1S/C7H12N2.C6H10N2.C5H8N2/c1-2-3-5-9-6-4-8-7-9;1-2-4-8-5-3-7-6-8;1-2-7-4-3-6-5-7/h4,6-7H,2-3,5H2,1H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3
InChIKeyJGAHEYBLMFRWFF-UHFFFAOYSA-N
XLogP3.88
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

sodium;1-butylimidazole;bromide
CID 175480877
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-ethylimidazole;octane
CID 145297576
zinc;bis(1-butylimidazole);dithiocyanate
CID 25168486
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653
1-nonylimidazole;hydrobromide
CID 175434544
1-ethylimidazole;hydroiodide
CID 66751695
copper;1-ethylimidazole
CID 118057388
carbonic acid;1-dodecylimidazole
CID 175596781
phosphoric acid;1-propylimidazole
CID 159096406
fluoroboronic acid;octakis(1-propylimidazole)
CID 173216123
bis(1-propylimidazole);sulfuric acid
CID 86038795

Frequently Asked Questions

What is the IUPAC name of 1-butylimidazole;1-ethylimidazole;1-propylimidazole?
The IUPAC name of 1-butylimidazole;1-ethylimidazole;1-propylimidazole (CID 143151765) is 1-butylimidazole;1-ethylimidazole;1-propylimidazole.
What is the SMILES notation for 1-butylimidazole;1-ethylimidazole;1-propylimidazole?
The canonical SMILES for 1-butylimidazole;1-ethylimidazole;1-propylimidazole is CCCCn1ccnc1.CCCn1ccnc1.CCn1ccnc1.
What is the InChIKey of 1-butylimidazole;1-ethylimidazole;1-propylimidazole?
The InChIKey is JGAHEYBLMFRWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H10N2.C5H8N2/c1-2-3-5-9-6-4-8-7-9;1-2-4-8-5-3-7-6-8;1-2-7-4-3-6-5-7/h4,6-7H,2-3,5H2,1H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3.
What are the key properties of 1-butylimidazole;1-ethylimidazole;1-propylimidazole?
1-butylimidazole;1-ethylimidazole;1-propylimidazole has a molecular weight of 330.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylimidazole;1-ethylimidazole;1-propylimidazole is sourced from PubChem (CID 143151765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).