1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole

C11H18BrN3 — CID 80669869

IUPAC1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
SMILESCc1nccn1CCN1CCCC1CBr
InChIInChI=1S/C11H18BrN3/c1-10-13-4-6-14(10)7-8-15-5-2-3-11(15)9-12/h4,6,11H,2-3,5,7-9H2,1H3
InChIKeyCLKYLCCVYLSRAA-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole

1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole (PubChem CID 80669869) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
PubChem CID80669869
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
SMILESCc1nccn1CCN1CCCC1CBr
InChIInChI=1S/C11H18BrN3/c1-10-13-4-6-14(10)7-8-15-5-2-3-11(15)9-12/h4,6,11H,2-3,5,7-9H2,1H3
InChIKeyCLKYLCCVYLSRAA-UHFFFAOYSA-N
XLogP2.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.05
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

1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanamine
CID 63854336
2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 154761878
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]pyridine
CID 91830276
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 124616194
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
The IUPAC name of 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole (CID 80669869) is 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
The canonical SMILES for 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole is Cc1nccn1CCN1CCCC1CBr.
What is the InChIKey of 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
The InChIKey is CLKYLCCVYLSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-10-13-4-6-14(10)7-8-15-5-2-3-11(15)9-12/h4,6,11H,2-3,5,7-9H2,1H3.
What are the key properties of 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole has a molecular weight of 272.19 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole is sourced from PubChem (CID 80669869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).