3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C86H79F11N18O12S2 — CID 161192504

About 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 161192504) has the molecular formula C86H79F11N18O12S2 and a molecular weight of 1829.80 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 161192504
• Molecular Formula: C86H79F11N18O12S2
• Molecular Weight: 1829.80 g/mol
• Exact Mass: 1828.54
• IUPAC Name: 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1nc2cc(N3C=NCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCSCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCSCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3N=CCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C22H21F3N4O3S.C22H22F2N4O3S.2C21H18F3N5O3/c23-22(24,25)15-4-1-3-14(11-15)20(32)27-21-26-17-12-16(28-8-10-33-13-19(28)31)5-6-18(17)29(21)7-2-9-30;23-20(24)14-3-1-4-15(11-14)21(31)26-22-25-17-12-16(27-8-10-32-13-19(27)30)5-6-18(17)28(22)7-2-9-29;22-21(23,24)14-4-1-3-13(11-14)19(32)27-20-26-16-12-15(29-18(31)7-8-25-29)5-6-17(16)28(20)9-2-10-30;22-21(23,24)14-4-1-3-13(9-14)19(32)27-20-26-16-10-15(29-12-25-11-18(29)31)5-6-17(16)28(20)7-2-8-30/h1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32);1,3-6,11-12,20,29H,2,7-10,13H2,(H,25,26,31);1,3-6,8,11-12,30H,2,7,9-10H2,(H,26,27,32);1,3-6,9-10,12,30H,2,7-8,11H2,(H,26,27,32)
• InChIKey: UTXHLYHNXMCLDX-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 374.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.80
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 161192504) is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3C=NCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCSCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCSCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3N=CCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.

What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is UTXHLYHNXMCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S.C22H22F2N4O3S.2C21H18F3N5O3/c23-22(24,25)15-4-1-3-14(11-15)20(32)27-21-26-17-12-16(28-8-10-33-13-19(28)31)5-6-18(17)29(21)7-2-9-30;23-20(24)14-3-1-4-15(11-14)21(31)26-22-25-17-12-16(27-8-10-32-13-19(27)30)5-6-18(17)28(22)7-2-9-29;22-21(23,24)14-4-1-3-13(11-14)19(32)27-20-26-16-12-15(29-18(31)7-8-25-29)5-6-17(16)28(20)9-2-10-30;22-21(23,24)14-4-1-3-13(9-14)19(32)27-20-26-16-10-15(29-12-25-11-18(29)31)5-6-17(16)28(20)7-2-8-30/h1,3-6,11-12,30H,2,7-10,13H2,(H,26,27,32);1,3-6,11-12,20,29H,2,7-10,13H2,(H,25,26,31);1,3-6,8,11-12,30H,2,7,9-10H2,(H,26,27,32);1,3-6,9-10,12,30H,2,7-8,11H2,(H,26,27,32).

What are the key properties of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1829.80 g/mol, XLogP of 13.94, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-imidazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-4H-pyrazol-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxothiomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161192504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).