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

C23H20F2N6O — CID 162722621

IUPAC2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nc2cc(C3=CC(CCc4ccc(-c5nnc(C(F)F)o5)cn4)N=C3)ccc2n1C
InChIInChI=1S/C23H20F2N6O/c1-13-28-19-10-14(4-8-20(19)31(13)2)16-9-18(27-12-16)7-6-17-5-3-15(11-26-17)22-29-30-23(32-22)21(24)25/h3-5,8-12,18,21H,6-7H2,1-2H3
InChIKeySKAURQOZDQJDOS-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.73
Rot. Bonds6

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

2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162722621) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162722621
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC Name2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nc2cc(C3=CC(CCc4ccc(-c5nnc(C(F)F)o5)cn4)N=C3)ccc2n1C
InChIInChI=1S/C23H20F2N6O/c1-13-28-19-10-14(4-8-20(19)31(13)2)16-9-18(27-12-16)7-6-17-5-3-15(11-26-17)22-29-30-23(32-22)21(24)25/h3-5,8-12,18,21H,6-7H2,1-2H3
InChIKeySKAURQOZDQJDOS-UHFFFAOYSA-N
XLogP4.73
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162722621) is 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1nc2cc(C3=CC(CCc4ccc(-c5nnc(C(F)F)o5)cn4)N=C3)ccc2n1C.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is SKAURQOZDQJDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O/c1-13-28-19-10-14(4-8-20(19)31(13)2)16-9-18(27-12-16)7-6-17-5-3-15(11-26-17)22-29-30-23(32-22)21(24)25/h3-5,8-12,18,21H,6-7H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 434.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[2-[4-(1,2-dimethylbenzimidazol-5-yl)-2H-pyrrol-2-yl]ethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).