1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole

C15H25BrN2 — CID 65010298

IUPAC1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole
SMILESCCCc1nccn1CC1(CBr)CCCCCC1
InChIInChI=1S/C15H25BrN2/c1-2-7-14-17-10-11-18(14)13-15(12-16)8-5-3-4-6-9-15/h10-11H,2-9,12-13H2,1H3
InChIKeyLGEVORKQFXBXSH-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.57
Rot. Bonds5

About 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole

1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole (PubChem CID 65010298) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole
PubChem CID65010298
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole
SMILESCCCc1nccn1CC1(CBr)CCCCCC1
InChIInChI=1S/C15H25BrN2/c1-2-7-14-17-10-11-18(14)13-15(12-16)8-5-3-4-6-9-15/h10-11H,2-9,12-13H2,1H3
InChIKeyLGEVORKQFXBXSH-UHFFFAOYSA-N
XLogP4.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.57
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)cycloheptyl]methyl]-2-propylimidazole?
The IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole (CID 65010298) is 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole.
What is the SMILES notation for 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole?
The canonical SMILES for 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole is CCCc1nccn1CC1(CBr)CCCCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole?
The InChIKey is LGEVORKQFXBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-2-7-14-17-10-11-18(14)13-15(12-16)8-5-3-4-6-9-15/h10-11H,2-9,12-13H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole?
1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole has a molecular weight of 313.28 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole is sourced from PubChem (CID 65010298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).