5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

C14H14ClFN4O — CID 106420320

IUPAC5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCn2c(CCCl)nc3ccc(F)cc32)n1
InChIInChI=1S/C14H14ClFN4O/c1-9-17-14(21-19-9)5-7-20-12-8-10(16)2-3-11(12)18-13(20)4-6-15/h2-3,8H,4-7H2,1H3
InChIKeyZUHARRWTMGVWTP-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.89
Rot. Bonds5

About 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole

5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 106420320) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID106420320
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCn2c(CCCl)nc3ccc(F)cc32)n1
InChIInChI=1S/C14H14ClFN4O/c1-9-17-14(21-19-9)5-7-20-12-8-10(16)2-3-11(12)18-13(20)4-6-15/h2-3,8H,4-7H2,1H3
InChIKeyZUHARRWTMGVWTP-UHFFFAOYSA-N
XLogP2.89
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.89
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

6-fluoro-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419732
5-[2-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420402
5-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420298
5-[2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420407
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
2-(2-chloroethyl)-6-fluoro-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole
CID 62377393
2-(2-chloroethyl)-6-fluoro-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 62376014
2-(2-chloroethyl)-6-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 62376867
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-(2-methoxyethyl)-N-methylethanamine
CID 62845041
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2-(2-chloroethyl)-1-(3-cyclopentylpropyl)-6-fluorobenzimidazole
CID 106005321
3-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,1-dimethylurea
CID 83112604

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 106420320) is 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CCn2c(CCCl)nc3ccc(F)cc32)n1.
What is the InChIKey of 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is ZUHARRWTMGVWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c1-9-17-14(21-19-9)5-7-20-12-8-10(16)2-3-11(12)18-13(20)4-6-15/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 308.74 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106420320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).