1-(3-bromopropyl)-4,5-dimethylimidazole

C8H13BrN2 — CID 62352321

IUPAC1-(3-bromopropyl)-4,5-dimethylimidazole
SMILESCc1ncn(CCCBr)c1C
InChIInChI=1S/C8H13BrN2/c1-7-8(2)11(6-10-7)5-3-4-9/h6H,3-5H2,1-2H3
InChIKeyJCLLNNXRCCVEPT-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.28
Rot. Bonds3

About 1-(3-bromopropyl)-4,5-dimethylimidazole

1-(3-bromopropyl)-4,5-dimethylimidazole (PubChem CID 62352321) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(3-bromopropyl)-4,5-dimethylimidazole
PubChem CID62352321
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name1-(3-bromopropyl)-4,5-dimethylimidazole
SMILESCc1ncn(CCCBr)c1C
InChIInChI=1S/C8H13BrN2/c1-7-8(2)11(6-10-7)5-3-4-9/h6H,3-5H2,1-2H3
InChIKeyJCLLNNXRCCVEPT-UHFFFAOYSA-N
XLogP2.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.28
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-butyl-4,5-dimethylimidazole
CID 18671206
1-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
1-decyl-4,5-dimethylimidazole
CID 116621792
1-(5-chloropentyl)-4,5-dimethylimidazole
CID 62349844
4-(4,5-dimethylimidazol-1-yl)butanenitrile
CID 62350743
3-(3-bromopropyl)-5-methylimidazole-4-carboxylic acid
CID 141135914
3-(4,5-dimethylimidazol-1-yl)-N-ethylpropan-1-amine
CID 62351281
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
4-(4,5-dimethylimidazol-1-yl)-N-ethylbutan-1-amine
CID 62442961
1-(2-methoxyethyl)-4,5-dimethylimidazole
CID 54406098
3-(4,5-dimethylimidazol-1-yl)propanenitrile
CID 62350561
6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
CID 62350906

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(3-bromopropyl)-4,5-dimethylimidazole (CID 62352321) is 1-(3-bromopropyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(3-bromopropyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(3-bromopropyl)-4,5-dimethylimidazole is Cc1ncn(CCCBr)c1C.
What is the InChIKey of 1-(3-bromopropyl)-4,5-dimethylimidazole?
The InChIKey is JCLLNNXRCCVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-7-8(2)11(6-10-7)5-3-4-9/h6H,3-5H2,1-2H3.
What are the key properties of 1-(3-bromopropyl)-4,5-dimethylimidazole?
1-(3-bromopropyl)-4,5-dimethylimidazole has a molecular weight of 217.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4,5-dimethylimidazole is sourced from PubChem (CID 62352321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).