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

C24H26F2N4O4 — CID 126688243

IUPAC3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
SMILESCC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C24H26F2N4O4/c1-24(2)22(33)29(10-12-34-24)17-7-8-19-18(14-17)27-23(30(19)9-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26/h3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32)
InChIKeyAFKFFLRYQGBKQA-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.75
Rot. Bonds7

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

3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide (PubChem CID 126688243) has the molecular formula C24H26F2N4O4 and a molecular weight of 472.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
PubChem CID126688243
Molecular FormulaC24H26F2N4O4
Molecular Weight472.49 g/mol
Exact Mass472.19
IUPAC Name3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
SMILESCC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C24H26F2N4O4/c1-24(2)22(33)29(10-12-34-24)17-7-8-19-18(14-17)27-23(30(19)9-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26/h3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32)
InChIKeyAFKFFLRYQGBKQA-UHFFFAOYSA-N
XLogP3.75
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.75
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-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide (CID 126688243) is 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide is CC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.
What is the InChIKey of 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
The InChIKey is AFKFFLRYQGBKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4/c1-24(2)22(33)29(10-12-34-24)17-7-8-19-18(14-17)27-23(30(19)9-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26/h3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32).
What are the key properties of 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide has a molecular weight of 472.49 g/mol, XLogP of 3.75, 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-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 126688243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).