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

C93H98F8N16O15S4 — CID 161364694

IUPAC3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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
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.CSCCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CSCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C24H26F2N4O3S.C23H24F2N4O5S.C23H24F2N4O4S.C23H24F2N4O3S/c1-34-12-3-2-9-30-20-8-7-18(29-10-11-33-15-21(29)31)14-19(20)27-24(30)28-23(32)17-6-4-5-16(13-17)22(25)26;1-35(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;1-33-11-3-8-29-19-7-6-17(28-9-10-32-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h4-8,13-14,22H,2-3,9-12,15H2,1H3,(H,27,28,32);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31)
InChIKeyVPQUYMOZXUYHAW-UHFFFAOYSA-N
MW1960.16 g/mol
LogP15.46
Rot. Bonds33

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

3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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 161364694) has the molecular formula C93H98F8N16O15S4 and a molecular weight of 1960.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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 CID161364694
Molecular FormulaC93H98F8N16O15S4
Molecular Weight1960.16 g/mol
Exact Mass1958.62
IUPAC Name3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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
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.CSCCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CSCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C24H26F2N4O3S.C23H24F2N4O5S.C23H24F2N4O4S.C23H24F2N4O3S/c1-34-12-3-2-9-30-20-8-7-18(29-10-11-33-15-21(29)31)14-19(20)27-24(30)28-23(32)17-6-4-5-16(13-17)22(25)26;1-35(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;1-33-11-3-8-29-19-7-6-17(28-9-10-32-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h4-8,13-14,22H,2-3,9-12,15H2,1H3,(H,27,28,32);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31)
InChIKeyVPQUYMOZXUYHAW-UHFFFAOYSA-N
XLogP15.46
TPSA357.05 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.16
LogP ≤ 515.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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 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-methylsulfonylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688321
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-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688368
3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688386
N-[1-(1,1-dihydroxythian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688501
N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688503
3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688550
3-(difluoromethyl)-N-[1-(3-methylsulfonylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688620

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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?
The IUPAC name of 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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 (CID 161364694) is 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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 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.CSCCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.CSCCCn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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?
The InChIKey is VPQUYMOZXUYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S.C23H24F2N4O5S.C23H24F2N4O4S.C23H24F2N4O3S/c1-34-12-3-2-9-30-20-8-7-18(29-10-11-33-15-21(29)31)14-19(20)27-24(30)28-23(32)17-6-4-5-16(13-17)22(25)26;1-35(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;1-33-11-3-8-29-19-7-6-17(28-9-10-32-14-20(28)30)13-18(19)26-23(29)27-22(31)16-5-2-4-15(12-16)21(24)25/h4-8,13-14,22H,2-3,9-12,15H2,1H3,(H,27,28,32);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);2,4-7,12-13,21H,3,8-11,14H2,1H3,(H,26,27,31);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-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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?
3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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 1960.16 g/mol, XLogP of 15.46, 33 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(4-methylsulfanylbutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-methylsulfanylpropyl)-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 is sourced from PubChem (CID 161364694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).