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

C14H23BrN2 — CID 65010633

IUPAC1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(CC2(CBr)CCCCCC2)c1C
InChIInChI=1S/C14H23BrN2/c1-12-13(2)17(11-16-12)10-14(9-15)7-5-3-4-6-8-14/h11H,3-10H2,1-2H3
InChIKeyDNYWNWWVWFLOIX-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.24
Rot. Bonds3

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

1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole (PubChem CID 65010633) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole
PubChem CID65010633
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(CC2(CBr)CCCCCC2)c1C
InChIInChI=1S/C14H23BrN2/c1-12-13(2)17(11-16-12)10-14(9-15)7-5-3-4-6-8-14/h11H,3-10H2,1-2H3
InChIKeyDNYWNWWVWFLOIX-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole (CID 65010633) is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole is Cc1ncn(CC2(CBr)CCCCCC2)c1C.
What is the InChIKey of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole?
The InChIKey is DNYWNWWVWFLOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-12-13(2)17(11-16-12)10-14(9-15)7-5-3-4-6-8-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole?
1-[[1-(bromomethyl)cycloheptyl]methyl]-4,5-dimethylimidazole has a molecular weight of 299.26 g/mol, XLogP of 4.24, 3 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]-4,5-dimethylimidazole is sourced from PubChem (CID 65010633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).