5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole

C16H20BrClN2 — CID 63545211

IUPAC5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CCC1CCCC1
InChIInChI=1S/C16H20BrClN2/c1-11(18)16-19-14-10-13(17)6-7-15(14)20(16)9-8-12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyHKNVRJHCVJREDP-UHFFFAOYSA-N
MW355.71 g/mol
LogP5.68
Rot. Bonds4

About 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole

5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole (PubChem CID 63545211) has the molecular formula C16H20BrClN2 and a molecular weight of 355.71 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
PubChem CID63545211
Molecular FormulaC16H20BrClN2
Molecular Weight355.71 g/mol
Exact Mass354.05
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CCC1CCCC1
InChIInChI=1S/C16H20BrClN2/c1-11(18)16-19-14-10-13(17)6-7-15(14)20(16)9-8-12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyHKNVRJHCVJREDP-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.71
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)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 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole (CID 63545211) is 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole is CC(Cl)c1nc2cc(Br)ccc2n1CCC1CCCC1.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole?
The InChIKey is HKNVRJHCVJREDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2/c1-11(18)16-19-14-10-13(17)6-7-15(14)20(16)9-8-12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole has a molecular weight of 355.71 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole is sourced from PubChem (CID 63545211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).