6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole

C15H19Cl2N3 — CID 115471775

IUPAC6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole
SMILESCC1CC(n2c(CCl)nc3ccc(Cl)cc32)CCN1C
InChIInChI=1S/C15H19Cl2N3/c1-10-7-12(5-6-19(10)2)20-14-8-11(17)3-4-13(14)18-15(20)9-16/h3-4,8,10,12H,5-7,9H2,1-2H3
InChIKeyXTIQJYWOWIHXME-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.08
Rot. Bonds2

About 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole

6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole (PubChem CID 115471775) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole
PubChem CID115471775
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole
SMILESCC1CC(n2c(CCl)nc3ccc(Cl)cc32)CCN1C
InChIInChI=1S/C15H19Cl2N3/c1-10-7-12(5-6-19(10)2)20-14-8-11(17)3-4-13(14)18-15(20)9-16/h3-4,8,10,12H,5-7,9H2,1-2H3
InChIKeyXTIQJYWOWIHXME-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
5-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
CID 115471621
6-chloro-2-(chloromethyl)-1-(2,6-dimethylpiperidin-1-yl)benzimidazole
CID 83017525
6-chloro-2-(chloromethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 115471136
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
CID 118114327
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64732903
2-(chloromethyl)-1-(3,4-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64743874
5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
CID 55172239
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473342
6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 115473348
2-(chloromethyl)-3-(3,5-dimethylcyclohexyl)benzimidazole-5-carbonitrile
CID 104715836

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole (CID 115471775) is 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole is CC1CC(n2c(CCl)nc3ccc(Cl)cc32)CCN1C.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole?
The InChIKey is XTIQJYWOWIHXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-10-7-12(5-6-19(10)2)20-14-8-11(17)3-4-13(14)18-15(20)9-16/h3-4,8,10,12H,5-7,9H2,1-2H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(1,2-dimethylpiperidin-4-yl)benzimidazole has a molecular weight of 312.24 g/mol, XLogP of 4.08, 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-(1,2-dimethylpiperidin-4-yl)benzimidazole is sourced from PubChem (CID 115471775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).