2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole

C17H24ClN3 — CID 83017988

IUPAC2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole
SMILESCc1ccc2nc(CCCl)n(N3C(C)CCCC3C)c2c1
InChIInChI=1S/C17H24ClN3/c1-12-7-8-15-16(11-12)21(17(19-15)9-10-18)20-13(2)5-4-6-14(20)3/h7-8,11,13-14H,4-6,9-10H2,1-3H3
InChIKeyFCWZKAHFMWOTEA-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.02
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole

2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole (PubChem CID 83017988) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole
PubChem CID83017988
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole
SMILESCc1ccc2nc(CCCl)n(N3C(C)CCCC3C)c2c1
InChIInChI=1S/C17H24ClN3/c1-12-7-8-15-16(11-12)21(17(19-15)9-10-18)20-13(2)5-4-6-14(20)3/h7-8,11,13-14H,4-6,9-10H2,1-3H3
InChIKeyFCWZKAHFMWOTEA-UHFFFAOYSA-N
XLogP4.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.02
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-(2,6-dimethylpiperidin-1-yl)benzimidazole
CID 83017525
4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine
CID 83018016
2-(2-chloroethyl)-6-methyl-1-(oxolan-3-yl)benzimidazole
CID 80713208
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-(2-chloroethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906987
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 65344880
6-chloro-1-(2,6-dimethylpiperidin-1-yl)benzimidazol-2-amine
CID 83018887

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole (CID 83017988) is 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole is Cc1ccc2nc(CCCl)n(N3C(C)CCCC3C)c2c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole?
The InChIKey is FCWZKAHFMWOTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-12-7-8-15-16(11-12)21(17(19-15)9-10-18)20-13(2)5-4-6-14(20)3/h7-8,11,13-14H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole?
2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole has a molecular weight of 305.85 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,6-dimethylpiperidin-1-yl)-6-methylbenzimidazole is sourced from PubChem (CID 83017988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).