6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole

C15H19Cl2N3 — CID 83017525

IUPAC6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole
SMILESCC1CCCC(C)N1n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19Cl2N3/c1-10-4-3-5-11(2)19(10)20-14-8-12(17)6-7-13(14)18-15(20)9-16/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyJXNCNILSNDCLPL-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.33
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole

6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole (PubChem CID 83017525) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole
PubChem CID83017525
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole
SMILESCC1CCCC(C)N1n1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19Cl2N3/c1-10-4-3-5-11(2)19(10)20-14-8-12(17)6-7-13(14)18-15(20)9-16/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyJXNCNILSNDCLPL-UHFFFAOYSA-N
XLogP4.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.33
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-chloro-1-(2,6-dimethylpiperidin-1-yl)benzimidazol-2-amine
CID 83018887
2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole
CID 83017988
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole
CID 115471775
5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
CID 55172239
2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole-4-carbonitrile
CID 104719893
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-chloro-2-(chloromethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 115471136
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
6-chloro-2-(2-chloroethyl)-1-(4-methylpiperazin-1-yl)benzimidazole
CID 83019221

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole (CID 83017525) is 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole is CC1CCCC(C)N1n1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole?
The InChIKey is JXNCNILSNDCLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-10-4-3-5-11(2)19(10)20-14-8-12(17)6-7-13(14)18-15(20)9-16/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole has a molecular weight of 312.24 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole is sourced from PubChem (CID 83017525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).