4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine

C21H20FN5O2 — CID 126842587

IUPAC4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESFc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1
InChIInChI=1S/C21H20FN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
InChIKeyYFHQYPGSQZEGLG-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.11
Rot. Bonds5

About 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine

4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (PubChem CID 126842587) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
PubChem CID126842587
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine
SMILESFc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1
InChIInChI=1S/C21H20FN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
InChIKeyYFHQYPGSQZEGLG-UHFFFAOYSA-N
XLogP3.11
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine with MolForge

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Related Compounds

1-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl)-2-(morpholinomethyl)-1H-benzimidazole (5g)
CID 126842585
6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6H-indolo[2,3-b]quinoxaline
CID 2234193
1-[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]ethanol
CID 2999835
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
2-(4-Chlorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156013884
2-(4-Nitrophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156014564
2-(2-Fluorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156016511
2-(4-Fluorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156021508
2-[(1-Methylbenzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 5130652
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721934

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine (CID 126842587) is 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is Fc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc32)o1.
What is the InChIKey of 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
The InChIKey is YFHQYPGSQZEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2.
What are the key properties of 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine?
4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine has a molecular weight of 393.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 126842587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).