2-(4-bromopentyl)-1-methylimidazole

C9H15BrN2 — CID 79761341

IUPAC2-(4-bromopentyl)-1-methylimidazole
SMILESCC(Br)CCCc1nccn1C
InChIInChI=1S/C9H15BrN2/c1-8(10)4-3-5-9-11-6-7-12(9)2/h6-8H,3-5H2,1-2H3
InChIKeyLZHBQNQMVPSYLW-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-bromopentyl)-1-methylimidazole

2-(4-bromopentyl)-1-methylimidazole (PubChem CID 79761341) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 2-(4-bromopentyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-bromopentyl)-1-methylimidazole
PubChem CID79761341
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name2-(4-bromopentyl)-1-methylimidazole
SMILESCC(Br)CCCc1nccn1C
InChIInChI=1S/C9H15BrN2/c1-8(10)4-3-5-9-11-6-7-12(9)2/h6-8H,3-5H2,1-2H3
InChIKeyLZHBQNQMVPSYLW-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-(5-bromohexyl)-1-methylimidazole
CID 114532192
2-(4-bromohexyl)-1-methylimidazole
CID 79762311
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(5-chloro-4-methylpentyl)-1-methylimidazole
CID 114532201
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole
CID 114532199
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
2-butyl-1-methylimidazole;fluoroform
CID 162050255
2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole
CID 79762189
1-methyl-2-nonylimidazole
CID 67393993

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopentyl)-1-methylimidazole?
The IUPAC name of 2-(4-bromopentyl)-1-methylimidazole (CID 79761341) is 2-(4-bromopentyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-bromopentyl)-1-methylimidazole?
The canonical SMILES for 2-(4-bromopentyl)-1-methylimidazole is CC(Br)CCCc1nccn1C.
What is the InChIKey of 2-(4-bromopentyl)-1-methylimidazole?
The InChIKey is LZHBQNQMVPSYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2/c1-8(10)4-3-5-9-11-6-7-12(9)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromopentyl)-1-methylimidazole?
2-(4-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-(4-bromopentyl)-1-methylimidazole is sourced from PubChem (CID 79761341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).