1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide

C10H19BrN2 — CID 173111020

IUPAC1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide
SMILESBr.C=CCN1C=CN(CCCC)C1
InChIInChI=1S/C10H18N2.BrH/c1-3-5-7-12-9-8-11(10-12)6-4-2;/h4,8-9H,2-3,5-7,10H2,1H3;1H
InChIKeyPUXYHPMOEXCXES-UHFFFAOYSA-N
MW247.18 g/mol
LogP2.60
Rot. Bonds5

About 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide

1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide (PubChem CID 173111020) has the molecular formula C10H19BrN2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide
PubChem CID173111020
Molecular FormulaC10H19BrN2
Molecular Weight247.18 g/mol
Exact Mass246.07
IUPAC Name1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide
SMILESBr.C=CCN1C=CN(CCCC)C1
InChIInChI=1S/C10H18N2.BrH/c1-3-5-7-12-9-8-11(10-12)6-4-2;/h4,8-9H,2-3,5-7,10H2,1H3;1H
InChIKeyPUXYHPMOEXCXES-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-3-prop-2-enyl-2H-imidazole
CID 23154606
1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
CID 174521316
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1,3-di(nonyl)-2H-imidazole
CID 69395396

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide?
The IUPAC name of 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide (CID 173111020) is 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide is Br.C=CCN1C=CN(CCCC)C1.
What is the InChIKey of 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide?
The InChIKey is PUXYHPMOEXCXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.BrH/c1-3-5-7-12-9-8-11(10-12)6-4-2;/h4,8-9H,2-3,5-7,10H2,1H3;1H.
What are the key properties of 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide?
1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide has a molecular weight of 247.18 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-prop-2-enyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 173111020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).