5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole

C12H10Cl2N4O — CID 106407112

IUPAC5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESClCc1nc2cc(Cl)ccc2n1CCc1ncno1
InChIInChI=1S/C12H10Cl2N4O/c13-6-11-17-9-5-8(14)1-2-10(9)18(11)4-3-12-15-7-16-19-12/h1-2,5,7H,3-4,6H2
InChIKeyLUSCHODNRBOKGS-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.05
Rot. Bonds4

About 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole

5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 106407112) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID106407112
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESClCc1nc2cc(Cl)ccc2n1CCc1ncno1
InChIInChI=1S/C12H10Cl2N4O/c13-6-11-17-9-5-8(14)1-2-10(9)18(11)4-3-12-15-7-16-19-12/h1-2,5,7H,3-4,6H2
InChIKeyLUSCHODNRBOKGS-UHFFFAOYSA-N
XLogP3.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407214
5-[2-[2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407134
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
5-chloro-2-(chloromethyl)-1-(4-fluorobutyl)benzimidazole
CID 67992653
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407212
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
5-[2-[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407105
5-chloro-2-(chloromethyl)-1-(2-methylsulfonylethyl)benzimidazole
CID 54935133
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
3-[2-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420185
6-chloro-2-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471397

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 106407112) is 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole is ClCc1nc2cc(Cl)ccc2n1CCc1ncno1.
What is the InChIKey of 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is LUSCHODNRBOKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c13-6-11-17-9-5-8(14)1-2-10(9)18(11)4-3-12-15-7-16-19-12/h1-2,5,7H,3-4,6H2.
What are the key properties of 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 297.15 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106407112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).