1-butyl-3-ethyl-2H-imidazole;hydroiodide

C9H19IN2 — CID 173049590

IUPAC1-butyl-3-ethyl-2H-imidazole;hydroiodide
SMILESCCCCN1C=CN(CC)C1.I
InChIInChI=1S/C9H18N2.HI/c1-3-5-6-11-8-7-10(4-2)9-11;/h7-8H,3-6,9H2,1-2H3;1H
InChIKeyRHWBCVHTYMOREQ-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.47
Rot. Bonds4

About 1-butyl-3-ethyl-2H-imidazole;hydroiodide

1-butyl-3-ethyl-2H-imidazole;hydroiodide (PubChem CID 173049590) has the molecular formula C9H19IN2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2H-imidazole;hydroiodide.

Molecular Properties

Compound Name1-butyl-3-ethyl-2H-imidazole;hydroiodide
PubChem CID173049590
Molecular FormulaC9H19IN2
Molecular Weight282.17 g/mol
Exact Mass282.06
IUPAC Name1-butyl-3-ethyl-2H-imidazole;hydroiodide
SMILESCCCCN1C=CN(CC)C1.I
InChIInChI=1S/C9H18N2.HI/c1-3-5-6-11-8-7-10(4-2)9-11;/h7-8H,3-6,9H2,1-2H3;1H
InChIKeyRHWBCVHTYMOREQ-UHFFFAOYSA-N
XLogP2.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-octyl-2H-imidazole;hydroiodide
CID 173446352
1-decyl-3-ethyl-2H-imidazole
CID 19864130
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-ethyl-3-hexyl-2H-imidazole;hydrobromide
CID 173078365
acetic acid;1-butyl-3-ethyl-2H-imidazole
CID 175549883
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2H-imidazole;hydroiodide?
The IUPAC name of 1-butyl-3-ethyl-2H-imidazole;hydroiodide (CID 173049590) is 1-butyl-3-ethyl-2H-imidazole;hydroiodide.
What is the SMILES notation for 1-butyl-3-ethyl-2H-imidazole;hydroiodide?
The canonical SMILES for 1-butyl-3-ethyl-2H-imidazole;hydroiodide is CCCCN1C=CN(CC)C1.I.
What is the InChIKey of 1-butyl-3-ethyl-2H-imidazole;hydroiodide?
The InChIKey is RHWBCVHTYMOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.HI/c1-3-5-6-11-8-7-10(4-2)9-11;/h7-8H,3-6,9H2,1-2H3;1H.
What are the key properties of 1-butyl-3-ethyl-2H-imidazole;hydroiodide?
1-butyl-3-ethyl-2H-imidazole;hydroiodide has a molecular weight of 282.17 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2H-imidazole;hydroiodide is sourced from PubChem (CID 173049590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).