2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

C21H21FN4O2 — CID 58763211

IUPAC2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESCCc1cc(-c2nnc(Cc3ccc(F)cc3)o2)c(OC)c2nc(C)n(C)c12
InChIInChI=1S/C21H21FN4O2/c1-5-14-11-16(20(27-4)18-19(14)26(3)12(2)23-18)21-25-24-17(28-21)10-13-6-8-15(22)9-7-13/h6-9,11H,5,10H2,1-4H3
InChIKeyFMMMGFUGQRNOSJ-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.23
Rot. Bonds5

About 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 58763211) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID58763211
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESCCc1cc(-c2nnc(Cc3ccc(F)cc3)o2)c(OC)c2nc(C)n(C)c12
InChIInChI=1S/C21H21FN4O2/c1-5-14-11-16(20(27-4)18-19(14)26(3)12(2)23-18)21-25-24-17(28-21)10-13-6-8-15(22)9-7-13/h6-9,11H,5,10H2,1-4H3
InChIKeyFMMMGFUGQRNOSJ-UHFFFAOYSA-N
XLogP4.23
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 58763211) is 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is CCc1cc(-c2nnc(Cc3ccc(F)cc3)o2)c(OC)c2nc(C)n(C)c12.
What is the InChIKey of 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is FMMMGFUGQRNOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-5-14-11-16(20(27-4)18-19(14)26(3)12(2)23-18)21-25-24-17(28-21)10-13-6-8-15(22)9-7-13/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 380.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58763211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).