1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole

C14H25BrN2 — CID 65005831

IUPAC1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole
SMILESCCCC(CBr)(CCC)Cn1cnc(C)c1C
InChIInChI=1S/C14H25BrN2/c1-5-7-14(9-15,8-6-2)10-17-11-16-12(3)13(17)4/h11H,5-10H2,1-4H3
InChIKeyZGKFFSAOJJOSRB-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.48
Rot. Bonds7

About 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole

1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole (PubChem CID 65005831) has the molecular formula C14H25BrN2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole
PubChem CID65005831
Molecular FormulaC14H25BrN2
Molecular Weight301.27 g/mol
Exact Mass300.12
IUPAC Name1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole
SMILESCCCC(CBr)(CCC)Cn1cnc(C)c1C
InChIInChI=1S/C14H25BrN2/c1-5-7-14(9-15,8-6-2)10-17-11-16-12(3)13(17)4/h11H,5-10H2,1-4H3
InChIKeyZGKFFSAOJJOSRB-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole (CID 65005831) is 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole is CCCC(CBr)(CCC)Cn1cnc(C)c1C.
What is the InChIKey of 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole?
The InChIKey is ZGKFFSAOJJOSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2/c1-5-7-14(9-15,8-6-2)10-17-11-16-12(3)13(17)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole?
1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole has a molecular weight of 301.27 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2-propylpentyl]-4,5-dimethylimidazole is sourced from PubChem (CID 65005831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).