2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

C18H15F2N5O — CID 162767597

IUPAC2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1cc2ncn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2cc1C
InChIInChI=1S/C18H15F2N5O/c1-10-5-14-15(6-11(10)2)25(9-22-14)8-13-4-3-12(7-21-13)17-23-24-18(26-17)16(19)20/h3-7,9,16H,8H2,1-2H3
InChIKeyJLGBTQJYWQNQBQ-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.08
Rot. Bonds4

About 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162767597) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162767597
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1cc2ncn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2cc1C
InChIInChI=1S/C18H15F2N5O/c1-10-5-14-15(6-11(10)2)25(9-22-14)8-13-4-3-12(7-21-13)17-23-24-18(26-17)16(19)20/h3-7,9,16H,8H2,1-2H3
InChIKeyJLGBTQJYWQNQBQ-UHFFFAOYSA-N
XLogP4.08
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290317
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
CID 156525703
2-(difluoromethyl)-5-[6-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443587
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
7-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methylquinazoline-2,4-dione
CID 155365671
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-one
CID 178112204
N-(4-chloro-3-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145238689
N-(3-chloro-4-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145239055
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one
CID 167419709

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162767597) is 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1cc2ncn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)c2cc1C.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is JLGBTQJYWQNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-10-5-14-15(6-11(10)2)25(9-22-14)8-13-4-3-12(7-21-13)17-23-24-18(26-17)16(19)20/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 355.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162767597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).