2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C21H20FN5O — CID 24733995

IUPAC2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(C3CCN(Cc4nc5ccccc5[nH]4)CC3)o2)cc1
InChIInChI=1S/C21H20FN5O/c22-16-7-5-14(6-8-16)20-25-26-21(28-20)15-9-11-27(12-10-15)13-19-23-17-3-1-2-4-18(17)24-19/h1-8,15H,9-13H2,(H,23,24)
InChIKeyMRDOIEYEABAYFN-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.13
Rot. Bonds4

About 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 24733995) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID24733995
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(C3CCN(Cc4nc5ccccc5[nH]4)CC3)o2)cc1
InChIInChI=1S/C21H20FN5O/c22-16-7-5-14(6-8-16)20-25-26-21(28-20)15-9-11-27(12-10-15)13-19-23-17-3-1-2-4-18(17)24-19/h1-8,15H,9-13H2,(H,23,24)
InChIKeyMRDOIEYEABAYFN-UHFFFAOYSA-N
XLogP4.13
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 24733995) is 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(C3CCN(Cc4nc5ccccc5[nH]4)CC3)o2)cc1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is MRDOIEYEABAYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-16-7-5-14(6-8-16)20-25-26-21(28-20)15-9-11-27(12-10-15)13-19-23-17-3-1-2-4-18(17)24-19/h1-8,15H,9-13H2,(H,23,24).
What are the key properties of 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 377.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24733995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).