2-(2-bromopentyl)-1-methylimidazole

C9H15BrN2 — CID 63203989

IUPAC2-(2-bromopentyl)-1-methylimidazole
SMILESCCCC(Br)Cc1nccn1C
InChIInChI=1S/C9H15BrN2/c1-3-4-8(10)7-9-11-5-6-12(9)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFLBBZVXCAFXHMZ-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-bromopentyl)-1-methylimidazole

2-(2-bromopentyl)-1-methylimidazole (PubChem CID 63203989) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 2-(2-bromopentyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(2-bromopentyl)-1-methylimidazole
PubChem CID63203989
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name2-(2-bromopentyl)-1-methylimidazole
SMILESCCCC(Br)Cc1nccn1C
InChIInChI=1S/C9H15BrN2/c1-3-4-8(10)7-9-11-5-6-12(9)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFLBBZVXCAFXHMZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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-(4-bromoheptyl)-1-methylimidazole
CID 79761944
2-(4-bromohexyl)-1-methylimidazole
CID 79762311
2-(1-bromobutyl)-1-methylimidazole
CID 175381237
2-(3-bromo-2-methylpropyl)-1-methylimidazole
CID 64671780
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
azane;1-methyl-2-propylimidazole
CID 174525892
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
methanamine;1-methyl-2-propylimidazole
CID 164902083
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopentyl)-1-methylimidazole?
The IUPAC name of 2-(2-bromopentyl)-1-methylimidazole (CID 63203989) is 2-(2-bromopentyl)-1-methylimidazole.
What is the SMILES notation for 2-(2-bromopentyl)-1-methylimidazole?
The canonical SMILES for 2-(2-bromopentyl)-1-methylimidazole is CCCC(Br)Cc1nccn1C.
What is the InChIKey of 2-(2-bromopentyl)-1-methylimidazole?
The InChIKey is FLBBZVXCAFXHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2/c1-3-4-8(10)7-9-11-5-6-12(9)2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-bromopentyl)-1-methylimidazole?
2-(2-bromopentyl)-1-methylimidazole has a molecular weight of 231.14 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopentyl)-1-methylimidazole is sourced from PubChem (CID 63203989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).