2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole

C13H23BrN2 — CID 79762064

IUPAC2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
SMILESCCCn1ccnc1CC(C)(C)CC(C)Br
InChIInChI=1S/C13H23BrN2/c1-5-7-16-8-6-15-12(16)10-13(3,4)9-11(2)14/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyBRQVKTFSRKVGGN-UHFFFAOYSA-N
MW287.25 g/mol
LogP4.04
Rot. Bonds6

About 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole

2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole (PubChem CID 79762064) has the molecular formula C13H23BrN2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole.

Molecular Properties

Compound Name2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
PubChem CID79762064
Molecular FormulaC13H23BrN2
Molecular Weight287.25 g/mol
Exact Mass286.10
IUPAC Name2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
SMILESCCCn1ccnc1CC(C)(C)CC(C)Br
InChIInChI=1S/C13H23BrN2/c1-5-7-16-8-6-15-12(16)10-13(3,4)9-11(2)14/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyBRQVKTFSRKVGGN-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 54.04
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

2-(4-bromo-2,2-dimethylpentyl)-1-ethylimidazole
CID 79762188
2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole
CID 79762189
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
CID 112566789
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390379
3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
CID 79738150
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole?
The IUPAC name of 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole (CID 79762064) is 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole.
What is the SMILES notation for 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole?
The canonical SMILES for 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole is CCCn1ccnc1CC(C)(C)CC(C)Br.
What is the InChIKey of 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole?
The InChIKey is BRQVKTFSRKVGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2/c1-5-7-16-8-6-15-12(16)10-13(3,4)9-11(2)14/h6,8,11H,5,7,9-10H2,1-4H3.
What are the key properties of 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole?
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole has a molecular weight of 287.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole is sourced from PubChem (CID 79762064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).