2-(5-bromohexyl)-1-methylimidazole

C10H17BrN2 — CID 114532192

IUPAC2-(5-bromohexyl)-1-methylimidazole
SMILESCC(Br)CCCCc1nccn1C
InChIInChI=1S/C10H17BrN2/c1-9(11)5-3-4-6-10-12-7-8-13(10)2/h7-9H,3-6H2,1-2H3
InChIKeyTVODHWBHSODFGA-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.92
Rot. Bonds5

About 2-(5-bromohexyl)-1-methylimidazole

2-(5-bromohexyl)-1-methylimidazole (PubChem CID 114532192) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(5-bromohexyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(5-bromohexyl)-1-methylimidazole
PubChem CID114532192
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name2-(5-bromohexyl)-1-methylimidazole
SMILESCC(Br)CCCCc1nccn1C
InChIInChI=1S/C10H17BrN2/c1-9(11)5-3-4-6-10-12-7-8-13(10)2/h7-9H,3-6H2,1-2H3
InChIKeyTVODHWBHSODFGA-UHFFFAOYSA-N
XLogP2.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromohexyl)-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromopentyl)-1-methylimidazole
CID 79761341
2-(5-bromo-5-cyclopropylpentyl)-1-methylimidazole
CID 114532199
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(4-bromohexyl)-1-methylimidazole
CID 79762311
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
2-(5-chloro-4-methylpentyl)-1-methylimidazole
CID 114532201
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromohexyl)-1-methylimidazole?
The IUPAC name of 2-(5-bromohexyl)-1-methylimidazole (CID 114532192) is 2-(5-bromohexyl)-1-methylimidazole.
What is the SMILES notation for 2-(5-bromohexyl)-1-methylimidazole?
The canonical SMILES for 2-(5-bromohexyl)-1-methylimidazole is CC(Br)CCCCc1nccn1C.
What is the InChIKey of 2-(5-bromohexyl)-1-methylimidazole?
The InChIKey is TVODHWBHSODFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2/c1-9(11)5-3-4-6-10-12-7-8-13(10)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(5-bromohexyl)-1-methylimidazole?
2-(5-bromohexyl)-1-methylimidazole has a molecular weight of 245.16 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromohexyl)-1-methylimidazole is sourced from PubChem (CID 114532192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).