1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

C169H170F2N18O13S3 — CID 167669576

IUPAC1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(C)(F)F)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)cc2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccc(C)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccccc2)C1.COC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccs2)C1.O=C(C[C@H]1CCC[C@@H](n2c(-c3ccccn3)nc3cc(CO)ccc32)C1)c1cccs1
InChIInChI=1S/2C30H31N3O2.C29H29F2N3O2S.C29H29N3O2.C26H25N3O3S.C25H25N3O2S/c1-3-28(34)23-13-14-27-26(19-23)32-30(25-12-4-5-15-31-25)33(27)24-11-7-9-21(17-24)18-29(35)22-10-6-8-20(2)16-22;1-3-28(34)23-14-15-27-26(19-23)32-30(25-9-4-5-16-31-25)33(27)24-8-6-7-21(17-24)18-29(35)22-12-10-20(2)11-13-22;1-3-24(35)19-10-11-23-22(17-19)33-28(21-9-4-5-14-32-21)34(23)20-8-6-7-18(15-20)16-25(36)26-12-13-27(37-26)29(2,30)31;1-2-27(33)22-14-15-26-25(19-22)31-29(24-13-6-7-16-30-24)32(26)23-12-8-9-20(17-23)18-28(34)21-10-4-3-5-11-21;1-32-26(31)18-10-11-22-21(16-18)28-25(20-8-2-3-12-27-20)29(22)19-7-4-6-17(14-19)15-23(30)24-9-5-13-33-24;29-16-18-9-10-22-21(14-18)27-25(20-7-1-2-11-26-20)28(22)19-6-3-5-17(13-19)15-23(30)24-8-4-12-31-24/h4-6,8,10,12-16,19,21,24H,3,7,9,11,17-18H2,1-2H3;4-5,9-16,19,21,24H,3,6-8,17-18H2,1-2H3;4-5,9-14,17-18,20H,3,6-8,15-16H2,1-2H3;3-7,10-11,13-16,19-20,23H,2,8-9,12,17-18H2,1H3;2-3,5,8-13,16-17,19H,4,6-7,14-15H2,1H3;1-2,4,7-12,14,17,19,29H,3,5-6,13,15-16H2/t2*21-,24+;18-,20+;20-,23+;2*17-,19+/m000000/s1
InChIKeyTXDVUSFUYIRFSX-VQMYMIHDSA-N
MW2795.53 g/mol
LogP40.18
Rot. Bonds41

About 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one

1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (PubChem CID 167669576) has the molecular formula C169H170F2N18O13S3 and a molecular weight of 2795.53 g/mol. Its IUPAC name is 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
PubChem CID167669576
Molecular FormulaC169H170F2N18O13S3
Molecular Weight2795.53 g/mol
Exact Mass2793.23
IUPAC Name1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(C)(F)F)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)cc2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccc(C)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccccc2)C1.COC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccs2)C1.O=C(C[C@H]1CCC[C@@H](n2c(-c3ccccn3)nc3cc(CO)ccc32)C1)c1cccs1
InChIInChI=1S/2C30H31N3O2.C29H29F2N3O2S.C29H29N3O2.C26H25N3O3S.C25H25N3O2S/c1-3-28(34)23-13-14-27-26(19-23)32-30(25-12-4-5-15-31-25)33(27)24-11-7-9-21(17-24)18-29(35)22-10-6-8-20(2)16-22;1-3-28(34)23-14-15-27-26(19-23)32-30(25-9-4-5-16-31-25)33(27)24-8-6-7-21(17-24)18-29(35)22-12-10-20(2)11-13-22;1-3-24(35)19-10-11-23-22(17-19)33-28(21-9-4-5-14-32-21)34(23)20-8-6-7-18(15-20)16-25(36)26-12-13-27(37-26)29(2,30)31;1-2-27(33)22-14-15-26-25(19-22)31-29(24-13-6-7-16-30-24)32(26)23-12-8-9-20(17-23)18-28(34)21-10-4-3-5-11-21;1-32-26(31)18-10-11-22-21(16-18)28-25(20-8-2-3-12-27-20)29(22)19-7-4-6-17(14-19)15-23(30)24-9-5-13-33-24;29-16-18-9-10-22-21(14-18)27-25(20-7-1-2-11-26-20)28(22)19-6-3-5-17(13-19)15-23(30)24-8-4-12-31-24/h4-6,8,10,12-16,19,21,24H,3,7,9,11,17-18H2,1-2H3;4-5,9-16,19,21,24H,3,6-8,17-18H2,1-2H3;4-5,9-14,17-18,20H,3,6-8,15-16H2,1-2H3;3-7,10-11,13-16,19-20,23H,2,8-9,12,17-18H2,1H3;2-3,5,8-13,16-17,19H,4,6-7,14-15H2,1H3;1-2,4,7-12,14,17,19,29H,3,5-6,13,15-16H2/t2*21-,24+;18-,20+;20-,23+;2*17-,19+/m000000/s1
InChIKeyTXDVUSFUYIRFSX-VQMYMIHDSA-N
XLogP40.18
TPSA401.49 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.53
LogP ≤ 540.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167607848
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167608506
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167693185
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-2-(4-thiophen-2-yl-2-pyridinyl)benzimidazole;ruthenium(2+);diisothiocyanate
CID 140600164
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;1-[(2,4-difluorophenyl)methyl]-2-[4-[(E)-2-thiophen-2-ylethenyl]-2-pyridinyl]benzimidazole;ruthenium(2+);diisothiocyanate
CID 140600167
Methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[3-(aminomethyl)pyrrol-1-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-fluorophenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyrrol-1-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 157076656
1-[3-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-4-hydroxybutan-1-one;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl acetate;2-butylsulfinyl-4-[4-[(dimethylamino)methyl]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 157174232
Methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,3-diphenylpropyl)-2-thiophen-2-ylbenzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 2-(2,3-dibutylbenzimidazol-4-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylate
CID 159639763
methyl (1R)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxylate;[(1R)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanol;[(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanol
CID 160249680
4,13-Bis(1-phenylbenzimidazol-2-yl)-5-[(1-phenylbenzimidazol-2-yl)methyl]-3,6,13-triazapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2,4,8,10,15(19),16-heptaene-7,12,14-trione;7-hydroxy-4,5,13-tripyridin-2-yl-3,6,13-triazapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2,4,8,10,15(19),16-heptaene-12,14-dione;13-naphthalen-2-yl-4,5-dithiophen-2-yl-3,6,13-triazapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2,4,8,10,15(19),16-heptaene-7,12,14-trione;13-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)-5-[(1-phenylbenzimidazol-2-yl)methyl]-3,6,13-triazapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2,4,8,10,15(19),16-heptaene-7,12,14-trione;13-naphthalen-1-yl-7,12,14-trioxo-3,6,13-triazapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2,4,8,10,15(19),16-heptaene-4,5-dicarbonitrile
CID 160995645
tris(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);1-[(2,4-difluorophenyl)methyl]-2-pyridin-2-ylbenzimidazole;1-[(2,4-difluorophenyl)methyl]-2-[4-[(E)-2-thiophen-2-ylethenyl]-2-pyridinyl]benzimidazole;1-[(2,4-difluorophenyl)methyl]-2-(4-thiophen-2-yl-2-pyridinyl)benzimidazole;tris(ruthenium(2+));hexaisothiocyanate
CID 161042773
bis(carbon dioxide);3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]benzoic acid;3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-2-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-thiophen-3-yl-3H-isoindol-1-one
CID 161517914

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The IUPAC name of 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one (CID 167669576) is 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The canonical SMILES for 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C(C)(F)F)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)cc2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccc(C)c2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccccc2)C1.COC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccs2)C1.O=C(C[C@H]1CCC[C@@H](n2c(-c3ccccn3)nc3cc(CO)ccc32)C1)c1cccs1.
What is the InChIKey of 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
The InChIKey is TXDVUSFUYIRFSX-VQMYMIHDSA-N. The full InChI is InChI=1S/2C30H31N3O2.C29H29F2N3O2S.C29H29N3O2.C26H25N3O3S.C25H25N3O2S/c1-3-28(34)23-13-14-27-26(19-23)32-30(25-12-4-5-15-31-25)33(27)24-11-7-9-21(17-24)18-29(35)22-10-6-8-20(2)16-22;1-3-28(34)23-14-15-27-26(19-23)32-30(25-9-4-5-16-31-25)33(27)24-8-6-7-21(17-24)18-29(35)22-12-10-20(2)11-13-22;1-3-24(35)19-10-11-23-22(17-19)33-28(21-9-4-5-14-32-21)34(23)20-8-6-7-18(15-20)16-25(36)26-12-13-27(37-26)29(2,30)31;1-2-27(33)22-14-15-26-25(19-22)31-29(24-13-6-7-16-30-24)32(26)23-12-8-9-20(17-23)18-28(34)21-10-4-3-5-11-21;1-32-26(31)18-10-11-22-21(16-18)28-25(20-8-2-3-12-27-20)29(22)19-7-4-6-17(14-19)15-23(30)24-9-5-13-33-24;29-16-18-9-10-22-21(14-18)27-25(20-7-1-2-11-26-20)28(22)19-6-3-5-17(13-19)15-23(30)24-8-4-12-31-24/h4-6,8,10,12-16,19,21,24H,3,7,9,11,17-18H2,1-2H3;4-5,9-16,19,21,24H,3,6-8,17-18H2,1-2H3;4-5,9-14,17-18,20H,3,6-8,15-16H2,1-2H3;3-7,10-11,13-16,19-20,23H,2,8-9,12,17-18H2,1H3;2-3,5,8-13,16-17,19H,4,6-7,14-15H2,1H3;1-2,4,7-12,14,17,19,29H,3,5-6,13,15-16H2/t2*21-,24+;18-,20+;20-,23+;2*17-,19+/m000000/s1.
What are the key properties of 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one?
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one has a molecular weight of 2795.53 g/mol, XLogP of 40.18, 41 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;methyl 1-[(1R,3S)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxylate;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 167669576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).