1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole

C15H19BrN2 — CID 65002237

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole
SMILESBrCC1(Cn2cnc3ccccc32)CCCCC1
InChIInChI=1S/C15H19BrN2/c16-10-15(8-4-1-5-9-15)11-18-12-17-13-6-2-3-7-14(13)18/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeySZWFLQPGJJGGEN-UHFFFAOYSA-N
MW307.23 g/mol
LogP4.38
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole

1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole (PubChem CID 65002237) has the molecular formula C15H19BrN2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole
PubChem CID65002237
Molecular FormulaC15H19BrN2
Molecular Weight307.23 g/mol
Exact Mass306.07
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole
SMILESBrCC1(Cn2cnc3ccccc32)CCCCC1
InChIInChI=1S/C15H19BrN2/c16-10-15(8-4-1-5-9-15)11-18-12-17-13-6-2-3-7-14(13)18/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeySZWFLQPGJJGGEN-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole 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)cyclohexyl]methyl]benzimidazole?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole (CID 65002237) is 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole is BrCC1(Cn2cnc3ccccc32)CCCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole?
The InChIKey is SZWFLQPGJJGGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c16-10-15(8-4-1-5-9-15)11-18-12-17-13-6-2-3-7-14(13)18/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole?
1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole has a molecular weight of 307.23 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]benzimidazole is sourced from PubChem (CID 65002237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).