2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole

C23H23FN4O — CID 57397055

IUPAC2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(Cn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1
InChIInChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2
InChIKeyLUFOXAFMTZDQHJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.59
Rot. Bonds5

About 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole

2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 57397055) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID57397055
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(Cn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1
InChIInChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2
InChIKeyLUFOXAFMTZDQHJ-UHFFFAOYSA-N
XLogP4.59
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 57397055) is 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is Fc1ccc(Cn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1.
What is the InChIKey of 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is LUFOXAFMTZDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2.
What are the key properties of 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 390.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 57397055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).