2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C22H22F2N6O2 — CID 169290317

IUPAC2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccc4c(c3)ncn4CCN3CCCC3)nc2)o1
InChIInChI=1S/C22H22F2N6O2/c23-20(24)22-28-27-21(32-22)15-3-4-16(25-12-15)13-31-17-5-6-19-18(11-17)26-14-30(19)10-9-29-7-1-2-8-29/h3-6,11-12,14,20H,1-2,7-10,13H2
InChIKeyNXSCHKCJIGFLMN-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.09
Rot. Bonds8

About 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290317) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290317
Molecular FormulaC22H22F2N6O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC Name2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ccc4c(c3)ncn4CCN3CCCC3)nc2)o1
InChIInChI=1S/C22H22F2N6O2/c23-20(24)22-28-27-21(32-22)15-3-4-16(25-12-15)13-31-17-5-6-19-18(11-17)26-14-30(19)10-9-29-7-1-2-8-29/h3-6,11-12,14,20H,1-2,7-10,13H2
InChIKeyNXSCHKCJIGFLMN-UHFFFAOYSA-N
XLogP4.09
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162767597
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-3-pyrrolidin-1-ylpropane-1-sulfinamide
CID 145239225
2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284073
2-[6-(1-adamantyloxymethyl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290345
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
2-(difluoromethyl)-5-[6-[[5-[2-(3-methylphenyl)ethynyl]-3-pyridinyl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 178145906
2-[6-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443032
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290317) is 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3ccc4c(c3)ncn4CCN3CCCC3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is NXSCHKCJIGFLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c23-20(24)22-28-27-21(32-22)15-3-4-16(25-12-15)13-31-17-5-6-19-18(11-17)26-14-30(19)10-9-29-7-1-2-8-29/h3-6,11-12,14,20H,1-2,7-10,13H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 440.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).