3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide

C23H24F2N4O4 — CID 126688548

IUPAC3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
SMILESCC1(C)COC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO
InChIInChI=1S/C23H24F2N4O4/c1-23(2)13-33-22(32)29(23)16-7-8-18-17(12-16)26-21(28(18)9-4-10-30)27-20(31)15-6-3-5-14(11-15)19(24)25/h3,5-8,11-12,19,30H,4,9-10,13H2,1-2H3,(H,26,27,31)
InChIKeyYBFHOJKHZPUXPY-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.34
Rot. Bonds7

About 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide

3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide (PubChem CID 126688548) has the molecular formula C23H24F2N4O4 and a molecular weight of 458.47 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
PubChem CID126688548
Molecular FormulaC23H24F2N4O4
Molecular Weight458.47 g/mol
Exact Mass458.18
IUPAC Name3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
SMILESCC1(C)COC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO
InChIInChI=1S/C23H24F2N4O4/c1-23(2)13-33-22(32)29(23)16-7-8-18-17(12-16)26-21(28(18)9-4-10-30)27-20(31)15-6-3-5-14(11-15)19(24)25/h3,5-8,11-12,19,30H,4,9-10,13H2,1-2H3,(H,26,27,31)
InChIKeyYBFHOJKHZPUXPY-UHFFFAOYSA-N
XLogP4.34
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide (CID 126688548) is 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide is CC1(C)COC(=O)N1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.
What is the InChIKey of 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
The InChIKey is YBFHOJKHZPUXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4/c1-23(2)13-33-22(32)29(23)16-7-8-18-17(12-16)26-21(28(18)9-4-10-30)27-20(31)15-6-3-5-14(11-15)19(24)25/h3,5-8,11-12,19,30H,4,9-10,13H2,1-2H3,(H,26,27,31).
What are the key properties of 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide has a molecular weight of 458.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[5-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).