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

C18H16FN5O2 — CID 164861582

IUPAC3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCCOc1ccc(Cn2c(-c3nonc3C)nc3c(F)cccc32)cn1
InChIInChI=1S/C18H16FN5O2/c1-3-25-15-8-7-12(9-20-15)10-24-14-6-4-5-13(19)17(14)21-18(24)16-11(2)22-26-23-16/h4-9H,3,10H2,1-2H3
InChIKeyIXAUAUDLRPTRIH-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.38
Rot. Bonds5

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

3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 164861582) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID164861582
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCCOc1ccc(Cn2c(-c3nonc3C)nc3c(F)cccc32)cn1
InChIInChI=1S/C18H16FN5O2/c1-3-25-15-8-7-12(9-20-15)10-24-14-6-4-5-13(19)17(14)21-18(24)16-11(2)22-26-23-16/h4-9H,3,10H2,1-2H3
InChIKeyIXAUAUDLRPTRIH-UHFFFAOYSA-N
XLogP3.38
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole with MolForge

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Related Compounds

4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861595
2-(2-chloroethyl)-4-fluoro-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62991268
4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
CID 164861468
2-(1-chloroethyl)-4-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60903372
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
CID 56789706
3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole
CID 164861627
3-methyl-4-[3-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazole
CID 164861743

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole (CID 164861582) is 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole is CCOc1ccc(Cn2c(-c3nonc3C)nc3c(F)cccc32)cn1.
What is the InChIKey of 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is IXAUAUDLRPTRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-3-25-15-8-7-12(9-20-15)10-24-14-6-4-5-13(19)17(14)21-18(24)16-11(2)22-26-23-16/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole?
3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 353.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 164861582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).