N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C99H99F11N18O13 — CID 157372748

About N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 157372748) has the molecular formula C99H99F11N18O13 and a molecular weight of 1957.97 g/mol. Its IUPAC name is N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 157372748
• Molecular Formula: C99H99F11N18O13
• Molecular Weight: 1957.97 g/mol
• Exact Mass: 1956.75
• IUPAC Name: N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1nc2cc(-n3ccccc3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3C(=O)COCC34CC4)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCCN(C4CC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCN(C4CC4)CCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/2C26H28F3N5O3.C24H24F2N4O4.C23H19F3N4O3/c27-26(28,29)18-5-1-4-17(14-18)24(37)31-25-30-21-15-20(8-9-22(21)34(25)12-3-13-35)33-11-2-10-32(16-23(33)36)19-6-7-19;27-26(28,29)18-4-1-3-17(15-18)24(37)31-25-30-21-16-20(7-8-22(21)34(25)10-2-14-35)33-13-12-32(19-5-6-19)11-9-23(33)36;25-21(26)15-3-1-4-16(11-15)22(33)28-23-27-18-12-17(5-6-19(18)29(23)9-2-10-31)30-20(32)13-34-14-24(30)7-8-24;24-23(25,26)16-6-3-5-15(13-16)21(33)28-22-27-18-14-17(29-10-2-1-7-20(29)32)8-9-19(18)30(22)11-4-12-31/h1,4-5,8-9,14-15,19,35H,2-3,6-7,10-13,16H2,(H,30,31,37);1,3-4,7-8,15-16,19,35H,2,5-6,9-14H2,(H,30,31,37);1,3-6,11-12,21,31H,2,7-10,13-14H2,(H,27,28,33);1-3,5-10,13-14,31H,4,11-12H2,(H,27,28,33)
• InChIKey: BJYOAGZGWHWOED-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 367.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.97
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 157372748) is N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(-n3ccccc3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3C(=O)COCC34CC4)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCCN(C4CC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCN(C4CC4)CCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is BJYOAGZGWHWOED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28F3N5O3.C24H24F2N4O4.C23H19F3N4O3/c27-26(28,29)18-5-1-4-17(14-18)24(37)31-25-30-21-15-20(8-9-22(21)34(25)12-3-13-35)33-11-2-10-32(16-23(33)36)19-6-7-19;27-26(28,29)18-4-1-3-17(15-18)24(37)31-25-30-21-16-20(7-8-22(21)34(25)10-2-14-35)33-13-12-32(19-5-6-19)11-9-23(33)36;25-21(26)15-3-1-4-16(11-15)22(33)28-23-27-18-12-17(5-6-19(18)29(23)9-2-10-31)30-20(32)13-34-14-24(30)7-8-24;24-23(25,26)16-6-3-5-15(13-16)21(33)28-22-27-18-14-17(29-10-2-1-7-20(29)32)8-9-19(18)30(22)11-4-12-31/h1,4-5,8-9,14-15,19,35H,2-3,6-7,10-13,16H2,(H,30,31,37);1,3-4,7-8,15-16,19,35H,2,5-6,9-14H2,(H,30,31,37);1,3-6,11-12,21,31H,2,7-10,13-14H2,(H,27,28,33);1-3,5-10,13-14,31H,4,11-12H2,(H,27,28,33).

What are the key properties of N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1957.97 g/mol, XLogP of 15.13, 27 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-cyclopropyl-2-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(5-oxo-7-oxa-4-azaspiro[2.5]octan-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157372748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).