1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

C145H146N14O15S4 — CID 167705346

IUPAC1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4OC)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(=O)OC)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(C)=O)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2csc(C)c2)C1
InChIInChI=1S/C31H30N2O3S.C29H29N3O4S.C29H29N3O3S.C28H29N3O3.C28H29N3O2S/c1-4-23-14-16-30(37-23)28(35)18-20-9-8-10-22(17-20)33-26-15-13-21(27(34)5-2)19-25(26)32-31(33)24-11-6-7-12-29(24)36-3;1-3-24(33)19-10-11-23-22(17-19)31-28(21-9-4-5-14-30-21)32(23)20-8-6-7-18(15-20)16-25(34)26-12-13-27(37-26)29(35)36-2;1-3-25(34)20-10-11-24-23(17-20)31-29(22-9-4-5-14-30-22)32(24)21-8-6-7-19(15-21)16-26(35)28-13-12-27(36-28)18(2)33;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;1-3-26(32)20-10-11-25-24(16-20)30-28(23-9-4-5-12-29-23)31(25)22-8-6-7-19(14-22)15-27(33)21-13-18(2)34-17-21/h1,6-7,11-16,19-20,22H,5,8-10,17-18H2,2-3H3;4-5,9-14,17-18,20H,3,6-8,15-16H2,1-2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;4-5,9-13,16-17,19,22H,3,6-8,14-15H2,1-2H3/t20-,22+;18-,20+;2*19-,21+;19-,22+/m10000/s1
InChIKeyZAFFUUNGUWPWQH-WTCHSPMLSA-N
MW2453.11 g/mol
LogP34.52
Rot. Bonds38

About 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167705346) has the molecular formula C145H146N14O15S4 and a molecular weight of 2453.11 g/mol. Its IUPAC name is 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
PubChem CID167705346
Molecular FormulaC145H146N14O15S4
Molecular Weight2453.11 g/mol
Exact Mass2451.00
IUPAC Name1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
SMILESC#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4OC)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(=O)OC)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(C)=O)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2csc(C)c2)C1
InChIInChI=1S/C31H30N2O3S.C29H29N3O4S.C29H29N3O3S.C28H29N3O3.C28H29N3O2S/c1-4-23-14-16-30(37-23)28(35)18-20-9-8-10-22(17-20)33-26-15-13-21(27(34)5-2)19-25(26)32-31(33)24-11-6-7-12-29(24)36-3;1-3-24(33)19-10-11-23-22(17-19)31-28(21-9-4-5-14-30-21)32(23)20-8-6-7-18(15-20)16-25(34)26-12-13-27(37-26)29(35)36-2;1-3-25(34)20-10-11-24-23(17-20)31-29(22-9-4-5-14-30-22)32(24)21-8-6-7-19(15-21)16-26(35)28-13-12-27(36-28)18(2)33;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;1-3-26(32)20-10-11-25-24(16-20)30-28(23-9-4-5-12-29-23)31(25)22-8-6-7-19(14-22)15-27(33)21-13-18(2)34-17-21/h1,6-7,11-16,19-20,22H,5,8-10,17-18H2,2-3H3;4-5,9-14,17-18,20H,3,6-8,15-16H2,1-2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;4-5,9-13,16-17,19,22H,3,6-8,14-15H2,1-2H3/t20-,22+;18-,20+;2*19-,21+;19-,22+/m10000/s1
InChIKeyZAFFUUNGUWPWQH-WTCHSPMLSA-N
XLogP34.52
TPSA377.10 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002453.11
LogP ≤ 534.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

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;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
tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)
CID 157379571
3-Dibenzofuran-4-yl-9-[4-(2-pyrazin-2-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-(2-pyrimidin-2-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-(2-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2-pyrimidin-2-ylbenzimidazol-1-yl)phenyl]carbazole
CID 157552661
3-Dibenzofuran-4-yl-9-[4-(2-pyridin-2-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-(2-pyridin-4-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2-pyridin-2-ylbenzimidazol-1-yl)phenyl]carbazole
CID 157686540
6-(4-Dibenzofuran-4-ylphenyl)-2-phenyl-3-pyridin-2-ylimidazo[4,5-c]carbazole;6-(3,5-diphenylphenyl)-2-phenyl-3-pyridin-2-ylimidazo[4,5-c]carbazole;6-(3,5-dithiophen-2-ylphenyl)-2-phenyl-3-pyridin-2-ylimidazo[4,5-c]carbazole
CID 157781184
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylgermane;[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylgermane;[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylgermane;[6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium);tris(2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide);2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
CID 157866784
3-Dibenzofuran-4-yl-9-[4-[2-(4-pyridin-4-ylphenyl)benzimidazol-1-yl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[2-(4-pyridin-2-ylphenyl)benzimidazol-1-yl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[2-(4-pyridin-3-ylphenyl)benzimidazol-1-yl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[2-(4-pyridin-4-ylphenyl)benzimidazol-1-yl]phenyl]carbazole
CID 158764986
carbanide;2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;tetrakis(platinum(2+))
CID 159095679
3-Dibenzofuran-4-yl-9-[4-(2-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2-pyrazin-2-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2-pyrimidin-2-ylbenzimidazol-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2-pyrimidin-5-ylbenzimidazol-1-yl)phenyl]carbazole
CID 159511137
1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;tetrakis([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane);2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium)
CID 160835596
3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
CID 161097279

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The IUPAC name of 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (CID 167705346) is 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The canonical SMILES for 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is C#Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccc4OC)nc4cc(C(=O)CC)ccc43)C2)s1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(=O)OC)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(C)=O)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)o2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2csc(C)c2)C1.
What is the InChIKey of 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The InChIKey is ZAFFUUNGUWPWQH-WTCHSPMLSA-N. The full InChI is InChI=1S/C31H30N2O3S.C29H29N3O4S.C29H29N3O3S.C28H29N3O3.C28H29N3O2S/c1-4-23-14-16-30(37-23)28(35)18-20-9-8-10-22(17-20)33-26-15-13-21(27(34)5-2)19-25(26)32-31(33)24-11-6-7-12-29(24)36-3;1-3-24(33)19-10-11-23-22(17-19)31-28(21-9-4-5-14-30-21)32(23)20-8-6-7-18(15-20)16-25(34)26-12-13-27(37-26)29(35)36-2;1-3-25(34)20-10-11-24-23(17-20)31-29(22-9-4-5-14-30-22)32(24)21-8-6-7-19(15-21)16-26(35)28-13-12-27(36-28)18(2)33;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;1-3-26(32)20-10-11-25-24(16-20)30-28(23-9-4-5-12-29-23)31(25)22-8-6-7-19(14-22)15-27(33)21-13-18(2)34-17-21/h1,6-7,11-16,19-20,22H,5,8-10,17-18H2,2-3H3;4-5,9-14,17-18,20H,3,6-8,15-16H2,1-2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;4-5,9-14,17,19,21H,3,6-8,15-16H2,1-2H3;4-5,9-13,16-17,19,22H,3,6-8,14-15H2,1-2H3/t20-,22+;18-,20+;2*19-,21+;19-,22+/m10000/s1.
What are the key properties of 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one has a molecular weight of 2453.11 g/mol, XLogP of 34.52, 38 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,3S)-3-[2-(5-acetylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(2-methoxyphenyl)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;methyl 5-[2-[(1S,3R)-3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]acetyl]thiophene-2-carboxylate;1-[1-[(1R,3S)-3-[2-(5-methylthiophen-3-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167705346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).