About 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one
2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167579165) has the molecular formula C229H222Cl2FN25O20S9
and a molecular weight of 4022.96 g/mol. Its IUPAC name is 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one.
Frequently Asked Questions
What is the IUPAC name of 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?
The IUPAC name of 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one (CID 167579165) is 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?
The canonical SMILES for 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(C#N)c(Cl)n4)nc4cc(C(=O)CC)ccc43)C2)s1.C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccc(F)cc4O)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1cc(Cl)ccc1O)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(O)cn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccc(O)cn1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1cccs1)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ncccc1C#N)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ncccc1C#N)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.
What is the InChIKey of 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?
The InChIKey is GYEPSRSOUVWGOR-ZBHHTVMFSA-N. The full InChI is InChI=1S/C30H25ClN4O2S.C30H27FN2O3S.2C29H28N4O2S.C28H28ClN3O3S.2C28H29N3O3S.C27H28N2O2S2/c1-3-22-10-13-28(38-22)27(37)15-18-6-5-7-21(14-18)35-25-12-9-19(26(36)4-2)16-24(25)34-30(35)23-11-8-20(17-32)29(31)33-23;1-3-22-10-13-29(37-22)28(36)15-18-6-5-7-21(14-18)33-25-12-8-19(26(34)4-2)16-24(25)32-30(33)23-11-9-20(31)17-27(23)35;2*1-3-25(34)20-10-11-24-23(16-20)32-29(28-21(17-30)7-5-13-31-28)33(24)22-8-4-6-19(14-22)15-26(35)27-12-9-18(2)36-27;1-3-24(33)17-8-10-23-22(13-17)31-27(21-14-18(29)9-11-25(21)34)32(23)20-6-4-5-19(15-20)30-28(35)26-12-7-16(2)36-26;2*1-3-25(33)19-8-11-24-23(15-19)30-28(22-10-9-21(32)16-29-22)31(24)20-6-4-5-18(13-20)14-26(34)27-12-7-17(2)35-27;1-3-23(30)19-10-11-22-21(16-19)28-27(26-8-5-13-32-26)29(22)20-7-4-6-18(14-20)15-24(31)25-12-9-17(2)33-25/h1,8-13,16,18,21H,4-7,14-15H2,2H3;1,8-13,16-18,21,35H,4-7,14-15H2,2H3;2*5,7,9-13,16,19,22H,3-4,6,8,14-15H2,1-2H3;7-14,19-20,34H,3-6,15H2,1-2H3,(H,30,35);2*7-12,15-16,18,20,32H,3-6,13-14H2,1-2H3;5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3/t2*18-,21+;2*19-,22+;19-,20+;3*18-,20+/m11111111/s1.
What are the key properties of 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one?
2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one has a molecular weight of 4022.96 g/mol, XLogP of 56.54, 55 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile;N-[(1R,3S)-3-[2-(5-chloro-2-hydroxyphenyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(4-fluoro-2-hydroxyphenyl)benzimidazol-5-yl]propan-1-one;bis(1-[2-(5-hydroxy-2-pyridinyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]pyridine-3-carbonitrile);1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-thiophen-2-ylbenzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167579165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).