2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole

C11H17BrN2 — CID 64908834

IUPAC2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole
SMILESCCn1ccnc1C1CCC(Br)C1C
InChIInChI=1S/C11H17BrN2/c1-3-14-7-6-13-11(14)9-4-5-10(12)8(9)2/h6-10H,3-5H2,1-2H3
InChIKeyYZFGXTOHJYLDKC-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.18
Rot. Bonds2

About 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole

2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole (PubChem CID 64908834) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole
PubChem CID64908834
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole
SMILESCCn1ccnc1C1CCC(Br)C1C
InChIInChI=1S/C11H17BrN2/c1-3-14-7-6-13-11(14)9-4-5-10(12)8(9)2/h6-10H,3-5H2,1-2H3
InChIKeyYZFGXTOHJYLDKC-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.18
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

4-(1-ethylimidazol-2-yl)-3-methylpiperidine
CID 114502153
2-(1-ethylimidazol-2-yl)cycloheptan-1-amine
CID 63968778
N-[[2-(1-ethylimidazol-2-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021832
N-ethyl-2-methyl-3-(1-propylimidazol-2-yl)cyclopentan-1-amine
CID 64907687
[3-(1-ethylimidazol-2-yl)pyrrolidin-2-yl]methanol
CID 131165540
1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
CID 81026716
4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 81020914
N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025106
[2-(1-ethylimidazol-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012620
3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine
CID 102961110
[2-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012134
2-(3-chlorocyclohexyl)-1-ethylimidazole
CID 64515914

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole?
The IUPAC name of 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole (CID 64908834) is 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole.
What is the SMILES notation for 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole?
The canonical SMILES for 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole is CCn1ccnc1C1CCC(Br)C1C.
What is the InChIKey of 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole?
The InChIKey is YZFGXTOHJYLDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-14-7-6-13-11(14)9-4-5-10(12)8(9)2/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole?
2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole has a molecular weight of 257.17 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole is sourced from PubChem (CID 64908834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).