2-(1-bromoethyl)-1-ethylimidazole

C7H11BrN2 — CID 71635251

IUPAC2-(1-bromoethyl)-1-ethylimidazole
SMILESCCn1ccnc1C(C)Br
InChIInChI=1S/C7H11BrN2/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3H2,1-2H3
InChIKeyVQLYIBMHSXXIHO-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.36
Rot. Bonds2

About 2-(1-bromoethyl)-1-ethylimidazole

2-(1-bromoethyl)-1-ethylimidazole (PubChem CID 71635251) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 2-(1-bromoethyl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(1-bromoethyl)-1-ethylimidazole
PubChem CID71635251
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name2-(1-bromoethyl)-1-ethylimidazole
SMILESCCn1ccnc1C(C)Br
InChIInChI=1S/C7H11BrN2/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3H2,1-2H3
InChIKeyVQLYIBMHSXXIHO-UHFFFAOYSA-N
XLogP2.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.36
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

1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
2-(3-bromobutyl)-1-ethylimidazole
CID 64509820
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine
CID 106838681
(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
CID 97177386
N-[(1R)-1-(1-ethylimidazol-2-yl)ethyl]cyclopropanamine
CID 97177377
[1-(1-ethylimidazol-2-yl)-3-methylbutyl]hydrazine
CID 105198831

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-1-ethylimidazole?
The IUPAC name of 2-(1-bromoethyl)-1-ethylimidazole (CID 71635251) is 2-(1-bromoethyl)-1-ethylimidazole.
What is the SMILES notation for 2-(1-bromoethyl)-1-ethylimidazole?
The canonical SMILES for 2-(1-bromoethyl)-1-ethylimidazole is CCn1ccnc1C(C)Br.
What is the InChIKey of 2-(1-bromoethyl)-1-ethylimidazole?
The InChIKey is VQLYIBMHSXXIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-3-10-5-4-9-7(10)6(2)8/h4-6H,3H2,1-2H3.
What are the key properties of 2-(1-bromoethyl)-1-ethylimidazole?
2-(1-bromoethyl)-1-ethylimidazole has a molecular weight of 203.08 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-1-ethylimidazole is sourced from PubChem (CID 71635251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).