2-(4-bromoheptyl)-1-methylimidazole

C11H19BrN2 — CID 79761944

IUPAC2-(4-bromoheptyl)-1-methylimidazole
SMILESCCCC(Br)CCCc1nccn1C
InChIInChI=1S/C11H19BrN2/c1-3-5-10(12)6-4-7-11-13-8-9-14(11)2/h8-10H,3-7H2,1-2H3
InChIKeyRLHQLHPYBBFRTL-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.31
Rot. Bonds6

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

2-(4-bromoheptyl)-1-methylimidazole (PubChem CID 79761944) has the molecular formula C11H19BrN2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-(4-bromoheptyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-bromoheptyl)-1-methylimidazole
PubChem CID79761944
Molecular FormulaC11H19BrN2
Molecular Weight259.19 g/mol
Exact Mass258.07
IUPAC Name2-(4-bromoheptyl)-1-methylimidazole
SMILESCCCC(Br)CCCc1nccn1C
InChIInChI=1S/C11H19BrN2/c1-3-5-10(12)6-4-7-11-13-8-9-14(11)2/h8-10H,3-7H2,1-2H3
InChIKeyRLHQLHPYBBFRTL-UHFFFAOYSA-N
XLogP3.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.31
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-bromohexyl)-1-methylimidazole
CID 79762311
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
2-(2-bromopentyl)-1-methylimidazole
CID 63203989
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
8-(1-methylimidazol-2-yl)octan-4-ol
CID 114532164
2-butyl-1-methylimidazole;fluoroform
CID 162050255
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoheptyl)-1-methylimidazole?
The IUPAC name of 2-(4-bromoheptyl)-1-methylimidazole (CID 79761944) is 2-(4-bromoheptyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-bromoheptyl)-1-methylimidazole?
The canonical SMILES for 2-(4-bromoheptyl)-1-methylimidazole is CCCC(Br)CCCc1nccn1C.
What is the InChIKey of 2-(4-bromoheptyl)-1-methylimidazole?
The InChIKey is RLHQLHPYBBFRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2/c1-3-5-10(12)6-4-7-11-13-8-9-14(11)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(4-bromoheptyl)-1-methylimidazole?
2-(4-bromoheptyl)-1-methylimidazole has a molecular weight of 259.19 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoheptyl)-1-methylimidazole is sourced from PubChem (CID 79761944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).