5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one

C25H20F2N4O2S — CID 72699392

IUPAC5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one
SMILESCc1nc(Cc2nc3ccc(-c4ccc(=O)[nH]c4)cc3n2Cc2ccccc2OC(F)F)cs1
InChIInChI=1S/C25H20F2N4O2S/c1-15-29-19(14-34-15)11-23-30-20-8-6-16(17-7-9-24(32)28-12-17)10-21(20)31(23)13-18-4-2-3-5-22(18)33-25(26)27/h2-10,12,14,25H,11,13H2,1H3,(H,28,32)
InChIKeyNUXQOXBMMUAAQL-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.40
Rot. Bonds7

About 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one (PubChem CID 72699392) has the molecular formula C25H20F2N4O2S and a molecular weight of 478.52 g/mol. Its IUPAC name is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one
PubChem CID72699392
Molecular FormulaC25H20F2N4O2S
Molecular Weight478.52 g/mol
Exact Mass478.13
IUPAC Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one
SMILESCc1nc(Cc2nc3ccc(-c4ccc(=O)[nH]c4)cc3n2Cc2ccccc2OC(F)F)cs1
InChIInChI=1S/C25H20F2N4O2S/c1-15-29-19(14-34-15)11-23-30-20-8-6-16(17-7-9-24(32)28-12-17)10-21(20)31(23)13-18-4-2-3-5-22(18)33-25(26)27/h2-10,12,14,25H,11,13H2,1H3,(H,28,32)
InChIKeyNUXQOXBMMUAAQL-UHFFFAOYSA-N
XLogP5.40
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one (CID 72699392) is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one is Cc1nc(Cc2nc3ccc(-c4ccc(=O)[nH]c4)cc3n2Cc2ccccc2OC(F)F)cs1.
What is the InChIKey of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
The InChIKey is NUXQOXBMMUAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2S/c1-15-29-19(14-34-15)11-23-30-20-8-6-16(17-7-9-24(32)28-12-17)10-21(20)31(23)13-18-4-2-3-5-22(18)33-25(26)27/h2-10,12,14,25H,11,13H2,1H3,(H,28,32).
What are the key properties of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one has a molecular weight of 478.52 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 72699392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).