6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole

C14H17BrClN3 — CID 83018928

IUPAC6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole
SMILESClCCc1nc2ccc(Br)cc2n1N1CCCCC1
InChIInChI=1S/C14H17BrClN3/c15-11-4-5-12-13(10-11)19(14(17-12)6-7-16)18-8-2-1-3-9-18/h4-5,10H,1-3,6-9H2
InChIKeyZLRLKUUYARVDEX-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.70
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole

6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole (PubChem CID 83018928) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole
PubChem CID83018928
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole
SMILESClCCc1nc2ccc(Br)cc2n1N1CCCCC1
InChIInChI=1S/C14H17BrClN3/c15-11-4-5-12-13(10-11)19(14(17-12)6-7-16)18-8-2-1-3-9-18/h4-5,10H,1-3,6-9H2
InChIKeyZLRLKUUYARVDEX-UHFFFAOYSA-N
XLogP3.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-piperidin-1-ylbenzimidazol-2-amine
CID 83019172
6-chloro-2-(2-chloroethyl)-1-(4-methylpiperazin-1-yl)benzimidazole
CID 83019221
4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine
CID 83018016
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 65344880
2-(chloromethyl)-5-iodo-1-piperidin-1-ylbenzimidazole
CID 83017519
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole
CID 65344548
6-bromo-2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole
CID 65344877
6-bromo-2-(chloromethyl)-1-(1-piperidin-1-ylpropan-2-yl)benzimidazole
CID 65346599
2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole
CID 83018762
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole (CID 83018928) is 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole is ClCCc1nc2ccc(Br)cc2n1N1CCCCC1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole?
The InChIKey is ZLRLKUUYARVDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c15-11-4-5-12-13(10-11)19(14(17-12)6-7-16)18-8-2-1-3-9-18/h4-5,10H,1-3,6-9H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole?
6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole has a molecular weight of 342.67 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-piperidin-1-ylbenzimidazole is sourced from PubChem (CID 83018928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).