5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one

C15H17Cl2N3O — CID 64667410

IUPAC5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
SMILESCN1CC(n2c(CCCl)nc3cc(Cl)ccc32)CCC1=O
InChIInChI=1S/C15H17Cl2N3O/c1-19-9-11(3-5-15(19)21)20-13-4-2-10(17)8-12(13)18-14(20)6-7-16/h2,4,8,11H,3,5-7,9H2,1H3
InChIKeyPRPZSXFVLZWFEO-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.26
Rot. Bonds3

About 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one

5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one (PubChem CID 64667410) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
PubChem CID64667410
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
SMILESCN1CC(n2c(CCCl)nc3cc(Cl)ccc32)CCC1=O
InChIInChI=1S/C15H17Cl2N3O/c1-19-9-11(3-5-15(19)21)20-13-4-2-10(17)8-12(13)18-14(20)6-7-16/h2,4,8,11H,3,5-7,9H2,1H3
InChIKeyPRPZSXFVLZWFEO-UHFFFAOYSA-N
XLogP3.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.26
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

5-[2-(2-chloroethyl)-5-methylbenzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667815
5-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
CID 115471621
5-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-1-methylpiperidin-2-one
CID 66080087
5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
CID 79279303
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
CID 118114327
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
5-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
CID 55172239

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one (CID 64667410) is 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one is CN1CC(n2c(CCCl)nc3cc(Cl)ccc32)CCC1=O.
What is the InChIKey of 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one?
The InChIKey is PRPZSXFVLZWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-19-9-11(3-5-15(19)21)20-13-4-2-10(17)8-12(13)18-14(20)6-7-16/h2,4,8,11H,3,5-7,9H2,1H3.
What are the key properties of 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one?
5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one has a molecular weight of 326.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 64667410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).