1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole

C11H18BrN3 — CID 130770772

IUPAC1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole
SMILESCC1(C)C(Br)CCN1CCn1ccnc1
InChIInChI=1S/C11H18BrN3/c1-11(2)10(12)3-5-15(11)8-7-14-6-4-13-9-14/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyYRHVGZVOMZGDML-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole

1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole (PubChem CID 130770772) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole
PubChem CID130770772
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole
SMILESCC1(C)C(Br)CCN1CCn1ccnc1
InChIInChI=1S/C11H18BrN3/c1-11(2)10(12)3-5-15(11)8-7-14-6-4-13-9-14/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyYRHVGZVOMZGDML-UHFFFAOYSA-N
XLogP2.13
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-imidazol-1-ylethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244620
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
CID 115536883
1-(2-imidazol-1-ylethyl)-2-methylpiperazine
CID 62672995
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
5-cyclopropyl-1-(3-imidazol-1-ylpropyl)-2,2-dimethylpiperazine
CID 64862252
2-imidazol-1-ylethanol
CID 159023310
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylcyclohexan-1-amine
CID 102637243
5-(3-imidazol-1-ylpropyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244413
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
CID 63126519

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole?
The IUPAC name of 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole (CID 130770772) is 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole?
The canonical SMILES for 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole is CC1(C)C(Br)CCN1CCn1ccnc1.
What is the InChIKey of 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole?
The InChIKey is YRHVGZVOMZGDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-11(2)10(12)3-5-15(11)8-7-14-6-4-13-9-14/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole?
1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole has a molecular weight of 272.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole is sourced from PubChem (CID 130770772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).