[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone

C163H179F2N19O19 — CID 159404172

IUPAC[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccncc3)CC2)c1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1
InChIInChI=1S/C32H34FN3O4.C28H28FN3O3.C27H28N4O3.C26H31N3O3.2C25H29N3O3/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27;1-34-23-15-21(16-24(17-23)35-2)28(33)31-12-10-20(11-13-31)27-30-25-8-3-4-9-26(25)32(27)18-19-6-5-7-22(29)14-19;1-33-22-15-21(16-23(17-22)34-2)27(32)30-13-9-20(10-14-30)26-29-24-5-3-4-6-25(24)31(26)18-19-7-11-28-12-8-19;1-31-21-14-20(15-22(16-21)32-2)26(30)28-12-10-19(11-13-28)25-27-23-8-3-4-9-24(23)29(25)17-18-6-5-7-18;2*1-30-20-13-19(14-21(15-20)31-2)25(29)27-11-9-18(10-12-27)24-26-22-5-3-4-6-23(22)28(24)16-17-7-8-17/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2;3-9,14-17,20H,10-13,18H2,1-2H3;3-8,11-12,15-17,20H,9-10,13-14,18H2,1-2H3;3-4,8-9,14-16,18-19H,5-7,10-13,17H2,1-2H3;2*3-6,13-15,17-18H,7-12,16H2,1-2H3
InChIKeyLNSVGWOQCJJXGK-UHFFFAOYSA-N
MW2746.33 g/mol
LogP29.06
Rot. Bonds38

About [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone

[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 159404172) has the molecular formula C163H179F2N19O19 and a molecular weight of 2746.33 g/mol. Its IUPAC name is [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
PubChem CID159404172
Molecular FormulaC163H179F2N19O19
Molecular Weight2746.33 g/mol
Exact Mass2744.36
IUPAC Name[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccncc3)CC2)c1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1
InChIInChI=1S/C32H34FN3O4.C28H28FN3O3.C27H28N4O3.C26H31N3O3.2C25H29N3O3/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27;1-34-23-15-21(16-24(17-23)35-2)28(33)31-12-10-20(11-13-31)27-30-25-8-3-4-9-26(25)32(27)18-19-6-5-7-22(29)14-19;1-33-22-15-21(16-23(17-22)34-2)27(32)30-13-9-20(10-14-30)26-29-24-5-3-4-6-25(24)31(26)18-19-7-11-28-12-8-19;1-31-21-14-20(15-22(16-21)32-2)26(30)28-12-10-19(11-13-28)25-27-23-8-3-4-9-24(23)29(25)17-18-6-5-7-18;2*1-30-20-13-19(14-21(15-20)31-2)25(29)27-11-9-18(10-12-27)24-26-22-5-3-4-6-23(22)28(24)16-17-7-8-17/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2;3-9,14-17,20H,10-13,18H2,1-2H3;3-8,11-12,15-17,20H,9-10,13-14,18H2,1-2H3;3-4,8-9,14-16,18-19H,5-7,10-13,17H2,1-2H3;2*3-6,13-15,17-18H,7-12,16H2,1-2H3
InChIKeyLNSVGWOQCJJXGK-UHFFFAOYSA-N
XLogP29.06
TPSA372.66 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002746.33
LogP ≤ 529.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(fluoromethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 157127164
2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one
CID 158838584
1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 161400857
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 157214047
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole);2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 157291208
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;bis(2-[1-[[4-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole)
CID 157298123
[3-Fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 157450462
[4-[1-(Cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone;[4-(cyclopropylmethoxy)-3-fluorophenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(2-methoxyethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 157571694
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone;[4-(cyclopropylmethoxy)-3-fluorophenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(2-methoxyethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3-fluoro-4-methoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
CID 157626365
Tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 157677032
[4-(Cyclopropylmethoxy)-3-fluorophenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(2-methoxyethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 157879121
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;tris([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;2-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 158252738

Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone (CID 159404172) is [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCC3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)c1.COc1cc(OC)cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3ccncc3)CC2)c1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCCO2)CC1.
What is the InChIKey of [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LNSVGWOQCJJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O4.C28H28FN3O3.C27H28N4O3.C26H31N3O3.2C25H29N3O3/c33-26-6-3-5-22(17-26)21-40-30-11-10-24(18-25(30)20-37)32(38)35-14-12-23(13-15-35)31-34-28-8-1-2-9-29(28)36(31)19-27-7-4-16-39-27;1-34-23-15-21(16-24(17-23)35-2)28(33)31-12-10-20(11-13-31)27-30-25-8-3-4-9-26(25)32(27)18-19-6-5-7-22(29)14-19;1-33-22-15-21(16-23(17-22)34-2)27(32)30-13-9-20(10-14-30)26-29-24-5-3-4-6-25(24)31(26)18-19-7-11-28-12-8-19;1-31-21-14-20(15-22(16-21)32-2)26(30)28-12-10-19(11-13-28)25-27-23-8-3-4-9-24(23)29(25)17-18-6-5-7-18;2*1-30-20-13-19(14-21(15-20)31-2)25(29)27-11-9-18(10-12-27)24-26-22-5-3-4-6-23(22)28(24)16-17-7-8-17/h1-3,5-6,8-11,17-18,23,27,37H,4,7,12-16,19-21H2;3-9,14-17,20H,10-13,18H2,1-2H3;3-8,11-12,15-17,20H,9-10,13-14,18H2,1-2H3;3-4,8-9,14-16,18-19H,5-7,10-13,17H2,1-2H3;2*3-6,13-15,17-18H,7-12,16H2,1-2H3.
What are the key properties of [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone?
[4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 2746.33 g/mol, XLogP of 29.06, 38 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclobutylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;bis([4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone);(3,5-dimethoxyphenyl)-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;(3,5-dimethoxyphenyl)-[4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 159404172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).