2-(3-bromobutyl)-1-ethylimidazole

C9H15BrN2 — CID 64509820

IUPAC2-(3-bromobutyl)-1-ethylimidazole
SMILESCCn1ccnc1CCC(C)Br
InChIInChI=1S/C9H15BrN2/c1-3-12-7-6-11-9(12)5-4-8(2)10/h6-8H,3-5H2,1-2H3
InChIKeyUNINBOYJAKYVKK-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.62
Rot. Bonds4

About 2-(3-bromobutyl)-1-ethylimidazole

2-(3-bromobutyl)-1-ethylimidazole (PubChem CID 64509820) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 2-(3-bromobutyl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(3-bromobutyl)-1-ethylimidazole
PubChem CID64509820
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name2-(3-bromobutyl)-1-ethylimidazole
SMILESCCn1ccnc1CCC(C)Br
InChIInChI=1S/C9H15BrN2/c1-3-12-7-6-11-9(12)5-4-8(2)10/h6-8H,3-5H2,1-2H3
InChIKeyUNINBOYJAKYVKK-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromobutyl)-1-propylimidazole
CID 64508695
2-(4-bromo-2,2-dimethylpentyl)-1-ethylimidazole
CID 79762188
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
CID 140833519
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobutyl)-1-ethylimidazole?
The IUPAC name of 2-(3-bromobutyl)-1-ethylimidazole (CID 64509820) is 2-(3-bromobutyl)-1-ethylimidazole.
What is the SMILES notation for 2-(3-bromobutyl)-1-ethylimidazole?
The canonical SMILES for 2-(3-bromobutyl)-1-ethylimidazole is CCn1ccnc1CCC(C)Br.
What is the InChIKey of 2-(3-bromobutyl)-1-ethylimidazole?
The InChIKey is UNINBOYJAKYVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2/c1-3-12-7-6-11-9(12)5-4-8(2)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(3-bromobutyl)-1-ethylimidazole?
2-(3-bromobutyl)-1-ethylimidazole has a molecular weight of 231.14 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromobutyl)-1-ethylimidazole is sourced from PubChem (CID 64509820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).