6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole

C15H18BrClFN3 — CID 116738845

IUPAC6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C1CCCN(C)C1
InChIInChI=1S/C15H18BrClFN3/c1-9(17)15-19-13-7-12(18)11(16)6-14(13)21(15)10-4-3-5-20(2)8-10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyXDBCWSBWBQQGCM-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.50
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole

6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole (PubChem CID 116738845) has the molecular formula C15H18BrClFN3 and a molecular weight of 374.69 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
PubChem CID116738845
Molecular FormulaC15H18BrClFN3
Molecular Weight374.69 g/mol
Exact Mass373.04
IUPAC Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C1CCCN(C)C1
InChIInChI=1S/C15H18BrClFN3/c1-9(17)15-19-13-7-12(18)11(16)6-14(13)21(15)10-4-3-5-20(2)8-10/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyXDBCWSBWBQQGCM-UHFFFAOYSA-N
XLogP4.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-(chloromethyl)-6-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 66086538
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole
CID 66088073
5-bromo-6-fluoro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66086694
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
CID 116738566
2-(1-chloroethyl)-6-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 62377544
6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
CID 66101576
6-bromo-2-(1-chloroethyl)-5-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414410
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propylbenzimidazole
CID 116738618
2-(1-chloroethyl)-5,6-difluoro-1-(oxolan-3-yl)benzimidazole
CID 112752147
5-bromo-2-(1-chloroethyl)-1-(1-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724
2-(1-chloroethyl)-1-cycloheptyl-6-fluorobenzimidazole
CID 63545031

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole (CID 116738845) is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole is CC(Cl)c1nc2cc(F)c(Br)cc2n1C1CCCN(C)C1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole?
The InChIKey is XDBCWSBWBQQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFN3/c1-9(17)15-19-13-7-12(18)11(16)6-14(13)21(15)10-4-3-5-20(2)8-10/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole?
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole has a molecular weight of 374.69 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole is sourced from PubChem (CID 116738845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).