1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide

C169H158F13N15O16S7 — CID 167583723

IUPAC1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(F)ccc(F)c4O)nc4cc(C(=O)CC)c(F)cc43)C2)s1.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccn3)n(C3COCC(CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3sccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccc(C)s2)C1
InChIInChI=1S/C30H25F3N2O3S.2C29H27F3N2O3S.C27H26F2N2O2S2.C27H27FN4O2S.C27H26FN3O3S/c1-3-18-8-11-27(39-18)26(37)13-16-6-5-7-17(12-16)35-24-15-22(33)19(25(36)4-2)14-23(24)34-30(35)28-20(31)9-10-21(32)29(28)38;2*1-3-24(35)18-13-22-23(14-21(18)32)34(29(33-22)27-19(30)8-9-20(31)28(27)37)17-6-4-5-16(11-17)12-25(36)26-10-7-15(2)38-26;1-3-23(32)18-13-21-22(14-20(18)29)31(27(30-21)26-19(28)9-10-34-26)17-6-4-5-16(11-17)12-24(33)25-8-7-15(2)35-25;1-3-24(33)18-10-11-23-22(15-18)29-26(19-6-4-7-20(28)14-19)32(23)21-8-5-13-31(16-21)27(34)30-25-12-9-17(2)35-25;1-3-24(32)19-12-22-23(13-20(19)28)31(27(30-22)21-6-4-5-9-29-21)18-10-17(14-34-15-18)11-25(33)26-8-7-16(2)35-26/h1,8-11,14-17,38H,4-7,12-13H2,2H3;2*7-10,13-14,16-17,37H,3-6,11-12H2,1-2H3;7-10,13-14,16-17H,3-6,11-12H2,1-2H3;4,6-7,9-12,14-15,21H,3,5,8,13,16H2,1-2H3,(H,30,34);4-9,12-13,17-18H,3,10-11,14-15H2,1-2H3/t4*16-,17+;;/m1111../s1
InChIKeyHNADYXMOBHOPNQ-YCTKGUFLSA-N
MW3126.65 g/mol
LogP43.79
Rot. Bonds40

About 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide

1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide (PubChem CID 167583723) has the molecular formula C169H158F13N15O16S7 and a molecular weight of 3126.65 g/mol. Its IUPAC name is 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide
PubChem CID167583723
Molecular FormulaC169H158F13N15O16S7
Molecular Weight3126.65 g/mol
Exact Mass3123.98
IUPAC Name1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(F)ccc(F)c4O)nc4cc(C(=O)CC)c(F)cc43)C2)s1.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccn3)n(C3COCC(CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3sccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccc(C)s2)C1
InChIInChI=1S/C30H25F3N2O3S.2C29H27F3N2O3S.C27H26F2N2O2S2.C27H27FN4O2S.C27H26FN3O3S/c1-3-18-8-11-27(39-18)26(37)13-16-6-5-7-17(12-16)35-24-15-22(33)19(25(36)4-2)14-23(24)34-30(35)28-20(31)9-10-21(32)29(28)38;2*1-3-24(35)18-13-22-23(14-21(18)32)34(29(33-22)27-19(30)8-9-20(31)28(27)37)17-6-4-5-16(11-17)12-25(36)26-10-7-15(2)38-26;1-3-23(32)18-13-21-22(14-20(18)29)31(27(30-21)26-19(28)9-10-34-26)17-6-4-5-16(11-17)12-24(33)25-8-7-15(2)35-25;1-3-24(33)18-10-11-23-22(15-18)29-26(19-6-4-7-20(28)14-19)32(23)21-8-5-13-31(16-21)27(34)30-25-12-9-17(2)35-25;1-3-24(32)19-12-22-23(13-20(19)28)31(27(30-22)21-6-4-5-9-29-21)18-10-17(14-34-15-18)11-25(33)26-8-7-16(2)35-26/h1,8-11,14-17,38H,4-7,12-13H2,2H3;2*7-10,13-14,16-17,37H,3-6,11-12H2,1-2H3;7-10,13-14,16-17H,3-6,11-12H2,1-2H3;4,6-7,9-12,14-15,21H,3,5,8,13,16H2,1-2H3,(H,30,34);4-9,12-13,17-18H,3,10-11,14-15H2,1-2H3/t4*16-,17+;;/m1111../s1
InChIKeyHNADYXMOBHOPNQ-YCTKGUFLSA-N
XLogP43.79
TPSA409.84 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003126.65
LogP ≤ 543.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide?
The IUPAC name of 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide (CID 167583723) is 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4c(F)ccc(F)c4O)nc4cc(C(=O)CC)c(F)cc43)C2)s1.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3c(F)ccc(F)c3O)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3ccccn3)n(C3COCC(CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1cc2nc(-c3sccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(C)s4)C3)c2cc1F.CCC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1)n2C1CCCN(C(=O)Nc2ccc(C)s2)C1.
What is the InChIKey of 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide?
The InChIKey is HNADYXMOBHOPNQ-YCTKGUFLSA-N. The full InChI is InChI=1S/C30H25F3N2O3S.2C29H27F3N2O3S.C27H26F2N2O2S2.C27H27FN4O2S.C27H26FN3O3S/c1-3-18-8-11-27(39-18)26(37)13-16-6-5-7-17(12-16)35-24-15-22(33)19(25(36)4-2)14-23(24)34-30(35)28-20(31)9-10-21(32)29(28)38;2*1-3-24(35)18-13-22-23(14-21(18)32)34(29(33-22)27-19(30)8-9-20(31)28(27)37)17-6-4-5-16(11-17)12-25(36)26-10-7-15(2)38-26;1-3-23(32)18-13-21-22(14-20(18)29)31(27(30-21)26-19(28)9-10-34-26)17-6-4-5-16(11-17)12-24(33)25-8-7-15(2)35-25;1-3-24(33)18-10-11-23-22(15-18)29-26(19-6-4-7-20(28)14-19)32(23)21-8-5-13-31(16-21)27(34)30-25-12-9-17(2)35-25;1-3-24(32)19-12-22-23(13-20(19)28)31(27(30-22)21-6-4-5-9-29-21)18-10-17(14-34-15-18)11-25(33)26-8-7-16(2)35-26/h1,8-11,14-17,38H,4-7,12-13H2,2H3;2*7-10,13-14,16-17,37H,3-6,11-12H2,1-2H3;7-10,13-14,16-17H,3-6,11-12H2,1-2H3;4,6-7,9-12,14-15,21H,3,5,8,13,16H2,1-2H3,(H,30,34);4-9,12-13,17-18H,3,10-11,14-15H2,1-2H3/t4*16-,17+;;/m1111../s1.
What are the key properties of 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide?
1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide has a molecular weight of 3126.65 g/mol, XLogP of 43.79, 40 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-difluoro-2-hydroxyphenyl)-1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-6-fluorobenzimidazol-5-yl]propan-1-one;bis(1-[2-(3,6-difluoro-2-hydroxyphenyl)-6-fluoro-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);1-[6-fluoro-2-(3-fluorothiophen-2-yl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[6-fluoro-1-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]oxan-3-yl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;3-[2-(3-fluorophenyl)-5-propanoylbenzimidazol-1-yl]-N-(5-methylthiophen-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167583723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).