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

C21H19ClF2N6O2 — CID 155729973

IUPAC5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one
SMILESO=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(Cl)ccc2n1C1CCNCC1
InChIInChI=1S/C21H19ClF2N6O2/c22-13-2-4-16-17(9-13)29(21(31)30(16)15-5-7-25-8-6-15)11-14-3-1-12(10-26-14)19-27-28-20(32-19)18(23)24/h1-4,9-10,15,18,25H,5-8,11H2
InChIKeyUVTTUPUYRMLCCN-UHFFFAOYSA-N
MW460.87 g/mol
LogP3.81
Rot. Bonds5

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

5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one (PubChem CID 155729973) has the molecular formula C21H19ClF2N6O2 and a molecular weight of 460.87 g/mol. Its IUPAC name is 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one
PubChem CID155729973
Molecular FormulaC21H19ClF2N6O2
Molecular Weight460.87 g/mol
Exact Mass460.12
IUPAC Name5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one
SMILESO=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(Cl)ccc2n1C1CCNCC1
InChIInChI=1S/C21H19ClF2N6O2/c22-13-2-4-16-17(9-13)29(21(31)30(16)15-5-7-25-8-6-15)11-14-3-1-12(10-26-14)19-27-28-20(32-19)18(23)24/h1-4,9-10,15,18,25H,5-8,11H2
InChIKeyUVTTUPUYRMLCCN-UHFFFAOYSA-N
XLogP3.81
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.87
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-pyrrolidin-3-yl]benzimidazol-2-one
CID 155341886
tert-butyl 4-[6-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 155730044
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1-[1-(thian-4-yl)piperidin-4-yl]benzimidazol-2-one
CID 155757386
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-(5-methylfuran-2-yl)-1-(1-methylpiperidin-4-yl)benzimidazol-2-one
CID 155729522
1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-piperidin-4-ylbenzimidazol-2-one
CID 155341712
1-piperidin-4-yl-3-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]benzimidazol-2-one
CID 155729617
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzimidazol-2-one
CID 155729859
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-[1-(oxetan-3-yl)piperidin-4-yl]-5-pyridin-4-ylbenzimidazol-2-one
CID 155730077
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)-5-(1-methylsulfanylpiperidin-4-yl)benzimidazol-2-one
CID 155729519
3-[6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-2-oxobenzimidazol-1-yl]pyrrolidine-1-carboxylic acid
CID 175205049
5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one
CID 155757467
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one
CID 175214899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one (CID 155729973) is 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one is O=c1n(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cc(Cl)ccc2n1C1CCNCC1.
What is the InChIKey of 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is UVTTUPUYRMLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N6O2/c22-13-2-4-16-17(9-13)29(21(31)30(16)15-5-7-25-8-6-15)11-14-3-1-12(10-26-14)19-27-28-20(32-19)18(23)24/h1-4,9-10,15,18,25H,5-8,11H2.
What are the key properties of 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one?
5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 460.87 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 155729973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).