1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one

C119H117F6N9O10S5 — CID 167578941

IUPAC1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4SC(F)(F)F)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1OC)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1SC(F)(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1
InChIInChI=1S/C31H27F3N2O2S2.C30H29F3N2O2S2.C30H32N2O3S.C28H29N3O3/c1-3-22-13-15-29(39-22)27(38)17-19-8-7-9-21(16-19)36-25-14-12-20(26(37)4-2)18-24(25)35-30(36)23-10-5-6-11-28(23)40-31(32,33)34;1-3-25(36)20-12-13-24-23(17-20)34-29(22-9-4-5-10-27(22)39-30(31,32)33)35(24)21-8-6-7-19(15-21)16-26(37)28-14-11-18(2)38-28;1-4-26(33)21-13-14-25-24(18-21)31-30(23-10-5-6-11-28(23)35-3)32(25)22-9-7-8-20(16-22)17-27(34)29-15-12-19(2)36-29;1-3-25(32)20-11-12-24-23(17-20)30-28(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-26(33)27-13-10-18(2)34-27/h1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;5-6,10-15,18,20,22H,4,7-9,16-17H2,1-3H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3/t2*19-,21+;20-,22+;19-,21+/m1110/s1
InChIKeyGXJJPYRGJHTQOG-OTCBEEJWSA-N
MW2107.62 g/mol
LogP32.51
Rot. Bonds31

About 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one

1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one (PubChem CID 167578941) has the molecular formula C119H117F6N9O10S5 and a molecular weight of 2107.62 g/mol. Its IUPAC name is 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
PubChem CID167578941
Molecular FormulaC119H117F6N9O10S5
Molecular Weight2107.62 g/mol
Exact Mass2105.74
IUPAC Name1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4SC(F)(F)F)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1OC)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1SC(F)(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1
InChIInChI=1S/C31H27F3N2O2S2.C30H29F3N2O2S2.C30H32N2O3S.C28H29N3O3/c1-3-22-13-15-29(39-22)27(38)17-19-8-7-9-21(16-19)36-25-14-12-20(26(37)4-2)18-24(25)35-30(36)23-10-5-6-11-28(23)40-31(32,33)34;1-3-25(36)20-12-13-24-23(17-20)34-29(22-9-4-5-10-27(22)39-30(31,32)33)35(24)21-8-6-7-19(15-21)16-26(37)28-14-11-18(2)38-28;1-4-26(33)21-13-14-25-24(18-21)31-30(23-10-5-6-11-28(23)35-3)32(25)22-9-7-8-20(16-22)17-27(34)29-15-12-19(2)36-29;1-3-25(32)20-11-12-24-23(17-20)30-28(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-26(33)27-13-10-18(2)34-27/h1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;5-6,10-15,18,20,22H,4,7-9,16-17H2,1-3H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3/t2*19-,21+;20-,22+;19-,21+/m1110/s1
InChIKeyGXJJPYRGJHTQOG-OTCBEEJWSA-N
XLogP32.51
TPSA243.10 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.62
LogP ≤ 532.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one with MolForge

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Related Compounds

6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;5-methyl-N-[(1R,3S)-3-[5-propanoyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;3-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethoxy)phenyl]benzimidazol-5-yl]propan-1-one
CID 167532896
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
CID 167553187
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
CID 167624375
1-[2-(4-chlorophenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[2-(3-ethynylphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;3-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethoxy)phenyl]benzimidazol-5-yl]propan-1-one
CID 167645198
N-[2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;N-[2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]phenyl]acetamide;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one
CID 167708316
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156657398
[4-(2-deuteriopropan-2-yl)-6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;1-[4-(4-fluorophenyl)phenyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium
CID 156657714
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658817
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;[6-(3H-dibenzothiophen-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156660126
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium
CID 156660676
2-(3H-dibenzofuran-3-id-4-yl)-1-dibenzothiophen-2-ylbenzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660779

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one?
The IUPAC name of 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one (CID 167578941) is 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one?
The canonical SMILES for 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4SC(F)(F)F)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1OC)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccc1SC(F)(F)F)n2[C@H]1CCC[C@@H](CC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1.
What is the InChIKey of 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one?
The InChIKey is GXJJPYRGJHTQOG-OTCBEEJWSA-N. The full InChI is InChI=1S/C31H27F3N2O2S2.C30H29F3N2O2S2.C30H32N2O3S.C28H29N3O3/c1-3-22-13-15-29(39-22)27(38)17-19-8-7-9-21(16-19)36-25-14-12-20(26(37)4-2)18-24(25)35-30(36)23-10-5-6-11-28(23)40-31(32,33)34;1-3-25(36)20-12-13-24-23(17-20)34-29(22-9-4-5-10-27(22)39-30(31,32)33)35(24)21-8-6-7-19(15-21)16-26(37)28-14-11-18(2)38-28;1-4-26(33)21-13-14-25-24(18-21)31-30(23-10-5-6-11-28(23)35-3)32(25)22-9-7-8-20(16-22)17-27(34)29-15-12-19(2)36-29;1-3-25(32)20-11-12-24-23(17-20)30-28(22-9-4-5-14-29-22)31(24)21-8-6-7-19(15-21)16-26(33)27-13-10-18(2)34-27/h1,5-6,10-15,18-19,21H,4,7-9,16-17H2,2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;5-6,10-15,18,20,22H,4,7-9,16-17H2,1-3H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3/t2*19-,21+;20-,22+;19-,21+/m1110/s1.
What are the key properties of 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one?
1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one has a molecular weight of 2107.62 g/mol, XLogP of 32.51, 31 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one;1-[2-(2-methoxyphenyl)-1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]benzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-[2-(trifluoromethylsulfanyl)phenyl]benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167578941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).