bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C74H80F8N12O10 — CID 158306561

About bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158306561) has the molecular formula C74H80F8N12O10 and a molecular weight of 1449.51 g/mol. Its IUPAC name is bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 158306561
• Molecular Formula: C74H80F8N12O10
• Molecular Weight: 1449.51 g/mol
• Exact Mass: 1448.60
• IUPAC Name: bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: CN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(C)(C)C1=O.CN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(C)(C)C1=O.CN1CCOC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CC(C)(F)CO)C1=O
• InChI: InChI=1S/2C25H28F2N4O3.C24H24F4N4O4/c2*1-25(2)18(14-30(3)23(25)34)15-8-9-20-19(13-15)28-24(31(20)10-5-11-32)29-22(33)17-7-4-6-16(12-17)21(26)27;1-23(25,13-33)12-32-18-7-6-14(19-21(35)31(2)8-9-36-19)11-17(18)29-22(32)30-20(34)15-4-3-5-16(10-15)24(26,27)28/h2*4,6-9,12-13,18,21,32H,5,10-11,14H2,1-3H3,(H,28,29,33);3-7,10-11,19,33H,8-9,12-13H2,1-2H3,(H,29,30,34)
• InChIKey: GNDOGVJASWOOIR-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 271.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1449.51
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158306561) is bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(C)(C)C1=O.CN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(C)(C)C1=O.CN1CCOC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CC(C)(F)CO)C1=O.

What is the InChIKey of bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is GNDOGVJASWOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H28F2N4O3.C24H24F4N4O4/c2*1-25(2)18(14-30(3)23(25)34)15-8-9-20-19(13-15)28-24(31(20)10-5-11-32)29-22(33)17-7-4-6-16(12-17)21(26)27;1-23(25,13-33)12-32-18-7-6-14(19-21(35)31(2)8-9-36-19)11-17(18)29-22(32)30-20(34)15-4-3-5-16(10-15)24(26,27)28/h2*4,6-9,12-13,18,21,32H,5,10-11,14H2,1-3H3,(H,28,29,33);3-7,10-11,19,33H,8-9,12-13H2,1-2H3,(H,29,30,34).

What are the key properties of bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1449.51 g/mol, XLogP of 11.94, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158306561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).