1-(3-bromopropyl)-2,4-dimethylimidazole

C8H13BrN2 — CID 174851128

IUPAC1-(3-bromopropyl)-2,4-dimethylimidazole
SMILESCc1cn(CCCBr)c(C)n1
InChIInChI=1S/C8H13BrN2/c1-7-6-11(5-3-4-9)8(2)10-7/h6H,3-5H2,1-2H3
InChIKeyKPEYGCSZTLVRAN-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.28
Rot. Bonds3

About 1-(3-bromopropyl)-2,4-dimethylimidazole

1-(3-bromopropyl)-2,4-dimethylimidazole (PubChem CID 174851128) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2,4-dimethylimidazole.

Molecular Properties

Compound Name1-(3-bromopropyl)-2,4-dimethylimidazole
PubChem CID174851128
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name1-(3-bromopropyl)-2,4-dimethylimidazole
SMILESCc1cn(CCCBr)c(C)n1
InChIInChI=1S/C8H13BrN2/c1-7-6-11(5-3-4-9)8(2)10-7/h6H,3-5H2,1-2H3
InChIKeyKPEYGCSZTLVRAN-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-2,4-dimethylimidazole
CID 69009415
2,4-dimethyl-1-pentylimidazole
CID 134592157
1-(2,4-dimethylimidazol-1-yl)-N,N-dimethylmethanamine
CID 86259383
1-(3-bromopropyl)-4,5-dimethylimidazole
CID 62352321
2-amino-4-(2,4-dimethylimidazol-1-yl)-2-methylbutanoic acid
CID 165485276
4-(2,4-dimethylimidazol-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 165490156
4-chloro-1-hexyl-2-methylimidazole
CID 56634054
ethane;2-ethyl-4-methyl-1-propylimidazole
CID 156794089
tetrakis(2,4-dimethylimidazol-1-yl)boranuide
CID 139089171
2,4-dimethyl-1-[(2,4,6-trichlorophenyl)methyl]imidazole
CID 57190559
4-methyl-1-(4-methylpentyl)imidazol-2-amine
CID 106572208
1-butyl-2-methyl-4-nitroimidazole
CID 2801466

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2,4-dimethylimidazole?
The IUPAC name of 1-(3-bromopropyl)-2,4-dimethylimidazole (CID 174851128) is 1-(3-bromopropyl)-2,4-dimethylimidazole.
What is the SMILES notation for 1-(3-bromopropyl)-2,4-dimethylimidazole?
The canonical SMILES for 1-(3-bromopropyl)-2,4-dimethylimidazole is Cc1cn(CCCBr)c(C)n1.
What is the InChIKey of 1-(3-bromopropyl)-2,4-dimethylimidazole?
The InChIKey is KPEYGCSZTLVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-7-6-11(5-3-4-9)8(2)10-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-(3-bromopropyl)-2,4-dimethylimidazole?
1-(3-bromopropyl)-2,4-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)-2,4-dimethylimidazole is sourced from PubChem (CID 174851128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).