[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C131H136F2N16O12S2 — CID 158247271

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESCc1ccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)cc2CO)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1cccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)cc2CO)c1.O=C(N1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/2C35H34FN3O3.C24H23N3O3S.C19H21N3O2S.C18H24N4O/c1-24-6-4-8-26(18-24)23-42-33-13-12-28(20-29(33)22-40)35(41)38-16-14-27(15-17-38)34-37-31-10-2-3-11-32(31)39(34)21-25-7-5-9-30(36)19-25;1-24-6-8-26(9-7-24)23-42-33-15-12-28(20-29(33)22-40)35(41)38-18-16-27(17-19-38)34-37-31-4-2-3-5-32(31)39(34)21-25-10-13-30(36)14-11-25;28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;1-14-6-8-16(9-7-14)25(23,24)22-12-10-15(11-13-22)19-20-17-4-2-3-5-18(17)21-19;23-18(21-10-4-1-5-11-21)22-12-8-14(9-13-22)17-19-15-6-2-3-7-16(15)20-17/h2-13,18-20,27,40H,14-17,21-23H2,1H3;2-15,20,27,40H,16-19,21-23H2,1H3;1-13,18H,14-17H2,(H,25,26);2-9,15H,10-13H2,1H3,(H,20,21);2-3,6-7,14H,1,4-5,8-13H2,(H,19,20)
InChIKeyGGGVBGSWTMPIHN-UHFFFAOYSA-N
MW2228.76 g/mol
LogP24.96
Rot. Bonds25

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 158247271) has the molecular formula C131H136F2N16O12S2 and a molecular weight of 2228.76 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
PubChem CID158247271
Molecular FormulaC131H136F2N16O12S2
Molecular Weight2228.76 g/mol
Exact Mass2226.99
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESCc1ccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)cc2CO)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1cccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)cc2CO)c1.O=C(N1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/2C35H34FN3O3.C24H23N3O3S.C19H21N3O2S.C18H24N4O/c1-24-6-4-8-26(18-24)23-42-33-13-12-28(20-29(33)22-40)35(41)38-16-14-27(15-17-38)34-37-31-10-2-3-11-32(31)39(34)21-25-7-5-9-30(36)19-25;1-24-6-8-26(9-7-24)23-42-33-15-12-28(20-29(33)22-40)35(41)38-18-16-27(17-19-38)34-37-31-4-2-3-5-32(31)39(34)21-25-10-13-30(36)14-11-25;28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;1-14-6-8-16(9-7-14)25(23,24)22-12-10-15(11-13-22)19-20-17-4-2-3-5-18(17)21-19;23-18(21-10-4-1-5-11-21)22-12-8-14(9-13-22)17-19-15-6-2-3-7-16(15)20-17/h2-13,18-20,27,40H,14-17,21-23H2,1H3;2-15,20,27,40H,16-19,21-23H2,1H3;1-13,18H,14-17H2,(H,25,26);2-9,15H,10-13H2,1H3,(H,20,21);2-3,6-7,14H,1,4-5,8-13H2,(H,19,20)
InChIKeyGGGVBGSWTMPIHN-UHFFFAOYSA-N
XLogP24.96
TPSA328.76 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002228.76
LogP ≤ 524.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole with MolForge

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 157305679
4-[[4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-methoxyphenoxy]methyl]benzonitrile;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 161884473
[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
bis([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methanone);tris([4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanone);2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 157242203
[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-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-3-fluorobenzene;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
CID 157680859
[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
Tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 158497930
tert-butyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate;tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;[4-[(3-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)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 158582850

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 158247271) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is Cc1ccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)cc2CO)cc1.Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.Cc1cccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)cc2CO)c1.O=C(N1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is GGGVBGSWTMPIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H34FN3O3.C24H23N3O3S.C19H21N3O2S.C18H24N4O/c1-24-6-4-8-26(18-24)23-42-33-13-12-28(20-29(33)22-40)35(41)38-16-14-27(15-17-38)34-37-31-10-2-3-11-32(31)39(34)21-25-7-5-9-30(36)19-25;1-24-6-8-26(9-7-24)23-42-33-15-12-28(20-29(33)22-40)35(41)38-18-16-27(17-19-38)34-37-31-4-2-3-5-32(31)39(34)21-25-10-13-30(36)14-11-25;28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;1-14-6-8-16(9-7-14)25(23,24)22-12-10-15(11-13-22)19-20-17-4-2-3-5-18(17)21-19;23-18(21-10-4-1-5-11-21)22-12-8-14(9-13-22)17-19-15-6-2-3-7-16(15)20-17/h2-13,18-20,27,40H,14-17,21-23H2,1H3;2-15,20,27,40H,16-19,21-23H2,1H3;1-13,18H,14-17H2,(H,25,26);2-9,15H,10-13H2,1H3,(H,20,21);2-3,6-7,14H,1,4-5,8-13H2,(H,19,20).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 2228.76 g/mol, XLogP of 24.96, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone;[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone;2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 158247271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).