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

C11H19BrN2 — CID 79762189

IUPAC2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole
SMILESCC(Br)CC(C)(C)Cc1nccn1C
InChIInChI=1S/C11H19BrN2/c1-9(12)7-11(2,3)8-10-13-5-6-14(10)4/h5-6,9H,7-8H2,1-4H3
InChIKeyCBWIBAWOERPFEB-UHFFFAOYSA-N
MW259.19 g/mol
LogP3.16
Rot. Bonds4

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

2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole (PubChem CID 79762189) has the molecular formula C11H19BrN2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole
PubChem CID79762189
Molecular FormulaC11H19BrN2
Molecular Weight259.19 g/mol
Exact Mass258.07
IUPAC Name2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole
SMILESCC(Br)CC(C)(C)Cc1nccn1C
InChIInChI=1S/C11H19BrN2/c1-9(12)7-11(2,3)8-10-13-5-6-14(10)4/h5-6,9H,7-8H2,1-4H3
InChIKeyCBWIBAWOERPFEB-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 53.16
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-propylimidazole
CID 79762064
3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81021659
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
3,3-dimethyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 81003658
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
2-(3-bromo-2-methylpropyl)-1-methylimidazole
CID 64671780
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79744678
[4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105220503

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole?
The IUPAC name of 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole (CID 79762189) is 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole?
The canonical SMILES for 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole is CC(Br)CC(C)(C)Cc1nccn1C.
What is the InChIKey of 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole?
The InChIKey is CBWIBAWOERPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2/c1-9(12)7-11(2,3)8-10-13-5-6-14(10)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole?
2-(4-bromo-2,2-dimethylpentyl)-1-methylimidazole has a molecular weight of 259.19 g/mol, XLogP of 3.16, 4 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-methylimidazole is sourced from PubChem (CID 79762189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).