1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole

C12H19BrN2 — CID 65001330

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(CC2(CBr)CCCC2)c1C
InChIInChI=1S/C12H19BrN2/c1-10-11(2)15(9-14-10)8-12(7-13)5-3-4-6-12/h9H,3-8H2,1-2H3
InChIKeyZRXBVDDGVHDKHL-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.46
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole

1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole (PubChem CID 65001330) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole
PubChem CID65001330
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(CC2(CBr)CCCC2)c1C
InChIInChI=1S/C12H19BrN2/c1-10-11(2)15(9-14-10)8-12(7-13)5-3-4-6-12/h9H,3-8H2,1-2H3
InChIKeyZRXBVDDGVHDKHL-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.46
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-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole (CID 65001330) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole is Cc1ncn(CC2(CBr)CCCC2)c1C.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole?
The InChIKey is ZRXBVDDGVHDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-10-11(2)15(9-14-10)8-12(7-13)5-3-4-6-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole?
1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole has a molecular weight of 271.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 65001330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).