2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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

C134H136N16O12S3 — CID 167563901

IUPAC2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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
SMILESCCC(=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)c2coc(C)n2)C1.COC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccs2)C1.Cc1ccc(C(=O)C[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(CO)ccc43)C2)s1.O=C(C[C@H]1CCC[C@@H](n2c(-c3ccccn3)nc3cc(CO)ccc32)C1)c1cccs1
InChIInChI=1S/C30H31N3O2.C27H28N4O3.C26H25N3O3S.C26H27N3O2S.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;1-3-25(32)19-10-11-24-22(15-19)30-27(21-9-4-5-12-28-21)31(24)20-8-6-7-18(13-20)14-26(33)23-16-34-17(2)29-23;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;1-17-8-11-25(32-17)24(31)15-18-5-4-6-20(13-18)29-23-10-9-19(16-30)14-22(23)28-26(29)21-7-2-3-12-27-21;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;4-5,9-12,15-16,18,20H,3,6-8,13-14H2,1-2H3;2-3,5,8-13,16-17,19H,4,6-7,14-15H2,1H3;2-3,7-12,14,18,20,30H,4-6,13,15-16H2,1H3;1-2,4,7-12,14,17,19,29H,3,5-6,13,15-16H2/t21-,24+;18-,20+;17-,19+;18-,20+;17-,19+/m00000/s1
InChIKeyFAHDYQNOWCUXPH-PNPSYNOFSA-N
MW2258.86 g/mol
LogP30.57
Rot. Bonds32

About 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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

2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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 (PubChem CID 167563901) has the molecular formula C134H136N16O12S3 and a molecular weight of 2258.86 g/mol. Its IUPAC name is 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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.

Molecular Properties

Compound Name2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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
PubChem CID167563901
Molecular FormulaC134H136N16O12S3
Molecular Weight2258.86 g/mol
Exact Mass2256.97
IUPAC Name2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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
SMILESCCC(=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)c2coc(C)n2)C1.COC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccs2)C1.Cc1ccc(C(=O)C[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(CO)ccc43)C2)s1.O=C(C[C@H]1CCC[C@@H](n2c(-c3ccccn3)nc3cc(CO)ccc32)C1)c1cccs1
InChIInChI=1S/C30H31N3O2.C27H28N4O3.C26H25N3O3S.C26H27N3O2S.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;1-3-25(32)19-10-11-24-22(15-19)30-27(21-9-4-5-12-28-21)31(24)20-8-6-7-18(13-20)14-26(33)23-16-34-17(2)29-23;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;1-17-8-11-25(32-17)24(31)15-18-5-4-6-20(13-18)29-23-10-9-19(16-30)14-22(23)28-26(29)21-7-2-3-12-27-21;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;4-5,9-12,15-16,18,20H,3,6-8,13-14H2,1-2H3;2-3,5,8-13,16-17,19H,4,6-7,14-15H2,1H3;2-3,7-12,14,18,20,30H,4-6,13,15-16H2,1H3;1-2,4,7-12,14,17,19,29H,3,5-6,13,15-16H2/t21-,24+;18-,20+;17-,19+;18-,20+;17-,19+/m00000/s1
InChIKeyFAHDYQNOWCUXPH-PNPSYNOFSA-N
XLogP30.57
TPSA365.83 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002258.86
LogP ≤ 530.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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;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
(1S)-N-benzyl-1-phenylethanamine;N,N-dimethyl-2-(methylamino)acetamide;(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;1-(ethylamino)-2-methylpropan-2-ol;N-ethyl-1-(furan-2-yl)-2-phenylethanamine;1-(furan-2-yl)-N-methylmethanamine;(2R)-2-(methoxymethyl)pyrrolidine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpyrrolidine-2-carboxylic acid;2-methylpyrrolidine;2-piperazin-1-yl-1H-benzimidazole;2-(piperazin-1-ylmethyl)-1H-benzimidazole;4-(3-piperazin-1-ylpropyl)morpholine;piperidin-3-ol;1-(2-piperidin-1-ylethyl)piperazine;1-(2-thiophen-2-ylethyl)piperazine;(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;N,N',N'-trimethylethane-1,2-diamine;N,N',N'-trimethylpropane-1,3-diamine
CID 157212818
2-[3-[3-(1,3-Benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;2-[3-(9,9-dimethylacridin-10-yl)-5-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;10-[3-[3-(9,9-dimethylacridin-10-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine
CID 157289302
2-[6-(1,3-Benzothiazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-phenyl-5-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-(4-pyrimidin-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 157314659
3,6-Bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine
CID 157743917
1,2-Dimethyl-5-propan-2-ylimidazo[4,5-b]pyridine;ethane;1-methyl-5-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-5-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;1-methyl-6-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;6-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1,7-naphthyridine;2-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;5-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine
CID 157807701
Methyl 2-[3-butyl-2-(furan-2-yl)benzimidazol-4-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 1-(2-cyclohex-2-en-1-ylethyl)-2-(2,3-dibutylbenzimidazol-4-yl)benzimidazole-5-carboxylate;methyl 1-(2-cyclohex-2-en-1-ylethyl)-2-[3-(3,3-diphenylpropyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(2-cyclohex-2-en-1-ylethyl)-2-[3-(thiophen-2-ylmethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(2-cyclohex-2-en-1-ylethyl)-2-[2-thiophen-2-yl-3-(thiophen-2-ylmethyl)benzimidazol-4-yl]benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[2-(2-phenylethylamino)-3-(3-phenylpropyl)benzimidazol-4-yl]benzimidazole-5-carboxylate
CID 157850236
1,2-Dimethyl-5-propan-2-ylimidazo[4,5-b]pyridine;ethane;methane;1-methyl-5-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-5-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;1-methyl-6-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;6-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1,7-naphthyridine;2-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;5-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine
CID 158382462
10-[3-(1,3-Benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenothiazine;2-[3-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenothiazin-10-ylphenyl]-5-phenothiazin-10-ylphenyl]-[1,3]oxazolo[5,4-b]pyridine;10-[3-[3-phenothiazin-10-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine
CID 158650993
8-Methyl-[1]benzofuro[2,3-b]pyridine;1-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-b]pyridine;1-methyl-[1]benzothiolo[2,3-c]pyridine;8-methyl-[1]benzothiolo[2,3-c]pyridine;2-methyl-5-phenylbenzimidazolo[1,2-a]benzimidazole;5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159060591
5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole;4-(furan-2-yl)-2-methyl-1,3-oxazole;5-(furan-3-yl)-2-methyl-1,3-oxazole;methane;2-methyl-4-(1-methylimidazol-2-yl)-1,3-oxazole;2-methyl-4-(1-methylpyrrol-2-yl)-1,3-oxazole;2-methyl-4-(1,3-oxazol-2-yl)-1,3-oxazole;2-methyl-4-(1,3-oxazol-5-yl)-1,3-oxazole;tris(2-methyl-4-phenyl-1,3-oxazole);2-methyl-4-pyrazin-2-yl-1,3-oxazole;tris(2-methyl-4-pyridin-2-yl-1,3-oxazole);2-methyl-4-pyrimidin-2-yl-1,3-oxazole;2-methyl-5-(3H-pyrrol-5-yl)-1,3-oxazole;2-methyl-4-(1,3-thiazol-2-yl)-1,3-oxazole;2-methyl-4-thiophen-2-yl-1,3-oxazole
CID 159266416
1-benzofuran;1,5-dimethyl-2,6-di(propan-2-yl)benzimidazole;1,6-dimethyl-2,5-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(1H-indene);methane;heptadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;bis(1-methyl-2-propan-2-ylindole);bis(1-methyl-3-propan-2-ylindole);bis(2-propan-2-yl-1,3-oxazole);bis(2-propan-2-yl-1,3-thiazole)
CID 159738442

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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?
The IUPAC name of 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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 (CID 167563901) is 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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.
What is the SMILES notation for 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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?
The canonical SMILES for 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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 is 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)c2coc(C)n2)C1.COC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2cccs2)C1.Cc1ccc(C(=O)C[C@H]2CCC[C@@H](n3c(-c4ccccn4)nc4cc(CO)ccc43)C2)s1.O=C(C[C@H]1CCC[C@@H](n2c(-c3ccccn3)nc3cc(CO)ccc32)C1)c1cccs1.
What is the InChIKey of 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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?
The InChIKey is FAHDYQNOWCUXPH-PNPSYNOFSA-N. The full InChI is InChI=1S/C30H31N3O2.C27H28N4O3.C26H25N3O3S.C26H27N3O2S.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;1-3-25(32)19-10-11-24-22(15-19)30-27(21-9-4-5-12-28-21)31(24)20-8-6-7-18(13-20)14-26(33)23-16-34-17(2)29-23;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;1-17-8-11-25(32-17)24(31)15-18-5-4-6-20(13-18)29-23-10-9-19(16-30)14-22(23)28-26(29)21-7-2-3-12-27-21;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;4-5,9-12,15-16,18,20H,3,6-8,13-14H2,1-2H3;2-3,5,8-13,16-17,19H,4,6-7,14-15H2,1H3;2-3,7-12,14,18,20,30H,4-6,13,15-16H2,1H3;1-2,4,7-12,14,17,19,29H,3,5-6,13,15-16H2/t21-,24+;18-,20+;17-,19+;18-,20+;17-,19+/m00000/s1.
What are the key properties of 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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?
2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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 has a molecular weight of 2258.86 g/mol, XLogP of 30.57, 32 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;2-[(1S,3R)-3-[5-(hydroxymethyl)-2-pyridin-2-ylbenzimidazol-1-yl]cyclohexyl]-1-thiophen-2-ylethanone;1-[1-[(1R,3S)-3-[2-(2-methyl-1,3-oxazol-4-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;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 is sourced from PubChem (CID 167563901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).