2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole

C18H15FN4O — CID 68663623

IUPAC2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole
SMILESCn1cnc2ccc(-c3nnc(CCc4cccc(F)c4)o3)cc21
InChIInChI=1S/C18H15FN4O/c1-23-11-20-15-7-6-13(10-16(15)23)18-22-21-17(24-18)8-5-12-3-2-4-14(19)9-12/h2-4,6-7,9-11H,5,8H2,1H3
InChIKeyXENOYRQJNLUYCV-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.55
Rot. Bonds4

About 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole

2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole (PubChem CID 68663623) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole
PubChem CID68663623
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole
SMILESCn1cnc2ccc(-c3nnc(CCc4cccc(F)c4)o3)cc21
InChIInChI=1S/C18H15FN4O/c1-23-11-20-15-7-6-13(10-16(15)23)18-22-21-17(24-18)8-5-12-3-2-4-14(19)9-12/h2-4,6-7,9-11H,5,8H2,1H3
InChIKeyXENOYRQJNLUYCV-UHFFFAOYSA-N
XLogP3.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methylsulfanylphenyl)benzimidazol-5-yl]-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 68664679
3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
CID 82127841
3-[2-[5-(2H-benzotriazol-5-yl)-1,3,4-oxadiazol-2-yl]ethyl]benzonitrile
CID 68663953
1-methyl-6-phenylbenzimidazole
CID 135028518
N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
4,4-dimethyl-N-[[3-(3-methylbenzimidazol-5-yl)phenyl]methyl]cyclohexan-1-amine
CID 59474712
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
N-ethyl-2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50848219
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239
2-methylsulfanyl-5-[3-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-1,3,4-oxadiazole
CID 68663399
5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole (CID 68663623) is 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole is Cn1cnc2ccc(-c3nnc(CCc4cccc(F)c4)o3)cc21.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is XENOYRQJNLUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-23-11-20-15-7-6-13(10-16(15)23)18-22-21-17(24-18)8-5-12-3-2-4-14(19)9-12/h2-4,6-7,9-11H,5,8H2,1H3.
What are the key properties of 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole?
2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 322.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl]-5-(3-methylbenzimidazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 68663623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).