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

C13H13ClN4O2 — CID 106407212

IUPAC5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1cccc2c1nc(CCl)n2CCc1ncno1
InChIInChI=1S/C13H13ClN4O2/c1-19-10-4-2-3-9-13(10)17-11(7-14)18(9)6-5-12-15-8-16-20-12/h2-4,8H,5-7H2,1H3
InChIKeyQHPCHVNODYHVEM-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.41
Rot. Bonds5

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

5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 106407212) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID106407212
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1cccc2c1nc(CCl)n2CCc1ncno1
InChIInChI=1S/C13H13ClN4O2/c1-19-10-4-2-3-9-13(10)17-11(7-14)18(9)6-5-12-15-8-16-20-12/h2-4,8H,5-7H2,1H3
InChIKeyQHPCHVNODYHVEM-UHFFFAOYSA-N
XLogP2.41
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407105
4-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326615
5-[2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407112
5-[2-[2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407134
4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406197
2-(chloromethyl)-4-methoxy-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484384
5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407214
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406219
2-(chloromethyl)-4-ethoxy-1-(3-methylsulfanylpropyl)benzimidazole
CID 113393135
4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 104837341
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)-4-propoxybenzimidazole
CID 104763429
2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240573

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole (CID 106407212) is 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole is COc1cccc2c1nc(CCl)n2CCc1ncno1.
What is the InChIKey of 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is QHPCHVNODYHVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-19-10-4-2-3-9-13(10)17-11(7-14)18(9)6-5-12-15-8-16-20-12/h2-4,8H,5-7H2,1H3.
What are the key properties of 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole?
5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 292.73 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106407212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).