3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

C46H48F4N8O9S2 — CID 162255298

IUPAC3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CS(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C23H24F2N4O5S.C23H24F2N4O4S/c1-35(32,33)11-3-8-29-19-7-6-17(28-9-10-34-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25;1-34(32)11-3-8-29-19-7-6-17(28-9-10-33-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31)
InChIKeyZYNBOYHJNFQUTL-UHFFFAOYSA-N
MW997.06 g/mol
LogP6.38
Rot. Bonds16

About 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 162255298) has the molecular formula C46H48F4N8O9S2 and a molecular weight of 997.06 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID162255298
Molecular FormulaC46H48F4N8O9S2
Molecular Weight997.06 g/mol
Exact Mass996.29
IUPAC Name3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CS(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C23H24F2N4O5S.C23H24F2N4O4S/c1-35(32,33)11-3-8-29-19-7-6-17(28-9-10-34-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25;1-34(32)11-3-8-29-19-7-6-17(28-9-10-33-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31)
InChIKeyZYNBOYHJNFQUTL-UHFFFAOYSA-N
XLogP6.38
TPSA204.13 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.06
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide with MolForge

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Related Compounds

3-(difluoromethyl)-N-[1-(1-methylsulfonylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688244
3-(difluoromethyl)-N-[1-(1,1-dihydroxythian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688259
3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688260
N-[1-(1,1-dioxothiolan-3-yl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688316
N-[1-(1-methylsulfonylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688321
3-(difluoromethyl)-N-[1-(2-methylsulfanylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688327
3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688328
3-(difluoromethyl)-N-[1-(2-methylsulfinylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688334
3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride
CID 126688335
3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide
CID 126688336
3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688368
N-ethyl-4-[5-(3-oxomorpholin-4-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]piperidine-1-carboxamide
CID 126688382

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 162255298) is 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is CS(=O)(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CS(=O)CCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is ZYNBOYHJNFQUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5S.C23H24F2N4O4S/c1-35(32,33)11-3-8-29-19-7-6-17(28-9-10-34-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25;1-34(32)11-3-8-29-19-7-6-17(28-9-10-33-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31).
What are the key properties of 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 997.06 g/mol, XLogP of 6.38, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 162255298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).