1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one

C22H20F3N5O2 — CID 155341712

IUPAC1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one
SMILESO=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccccc2n1C1CCNCC1
InChIInChI=1S/C22H20F3N5O2/c23-16-11-13(20-27-28-21(32-20)19(24)25)5-6-14(16)12-29-17-3-1-2-4-18(17)30(22(29)31)15-7-9-26-10-8-15/h1-6,11,15,19,26H,7-10,12H2
InChIKeyWBOQCDIVCITSFY-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.90
Rot. Bonds5

About 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one

1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one (PubChem CID 155341712) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one
PubChem CID155341712
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one
SMILESO=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccccc2n1C1CCNCC1
InChIInChI=1S/C22H20F3N5O2/c23-16-11-13(20-27-28-21(32-20)19(24)25)5-6-14(16)12-29-17-3-1-2-4-18(17)30(22(29)31)15-7-9-26-10-8-15/h1-6,11,15,19,26H,7-10,12H2
InChIKeyWBOQCDIVCITSFY-UHFFFAOYSA-N
XLogP3.90
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one (CID 155341712) is 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one is O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccccc2n1C1CCNCC1.
What is the InChIKey of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is WBOQCDIVCITSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-16-11-13(20-27-28-21(32-20)19(24)25)5-6-14(16)12-29-17-3-1-2-4-18(17)30(22(29)31)15-7-9-26-10-8-15/h1-6,11,15,19,26H,7-10,12H2.
What are the key properties of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one?
1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 443.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 155341712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).