2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole

C23H21FN6O — CID 22379970

IUPAC2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(-c3nnc(C)o3)cc21
InChIInChI=1S/C23H21FN6O/c1-3-10-30-20-13-17(23-28-27-15(2)31-23)7-8-19(20)26-21(30)14-29-11-9-25-22(29)16-5-4-6-18(24)12-16/h4-9,11-13H,3,10,14H2,1-2H3
InChIKeyLPDVCAJHNGDMER-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.86
Rot. Bonds6

About 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole

2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 22379970) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID22379970
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(-c3nnc(C)o3)cc21
InChIInChI=1S/C23H21FN6O/c1-3-10-30-20-13-17(23-28-27-15(2)31-23)7-8-19(20)26-21(30)14-29-11-9-25-22(29)16-5-4-6-18(24)12-16/h4-9,11-13H,3,10,14H2,1-2H3
InChIKeyLPDVCAJHNGDMER-UHFFFAOYSA-N
XLogP4.86
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole (CID 22379970) is 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole is CCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(-c3nnc(C)o3)cc21.
What is the InChIKey of 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is LPDVCAJHNGDMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-3-10-30-20-13-17(23-28-27-15(2)31-23)7-8-19(20)26-21(30)14-29-11-9-25-22(29)16-5-4-6-18(24)12-16/h4-9,11-13H,3,10,14H2,1-2H3.
What are the key properties of 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 416.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 22379970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).