[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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

C137H141F8N15O12 — CID 159747414

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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
SMILESCOCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1F.COc1ccc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)cc1F.Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=C(c1ccc(OCC2CC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(c1ccc(OCC2CCOCC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C32H33F2N3O3.C30H29F2N3O2.C29H29F2N3O3.C26H30FN3O3.C20H20FN3O/c33-26-5-3-4-23(18-26)20-37-29-7-2-1-6-28(29)35-31(37)24-10-14-36(15-11-24)32(38)25-8-9-30(27(34)19-25)40-21-22-12-16-39-17-13-22;31-24-5-3-4-21(16-24)18-35-27-7-2-1-6-26(27)33-29(35)22-12-14-34(15-13-22)30(36)23-10-11-28(25(32)17-23)37-19-20-8-9-20;1-36-15-16-37-27-10-9-22(18-24(27)31)29(35)33-13-11-21(12-14-33)28-32-25-7-2-3-8-26(25)34(28)19-20-5-4-6-23(30)17-20;1-32-24-7-6-20(16-21(24)27)26(31)29-12-8-19(9-13-29)25-28-22-4-2-3-5-23(22)30(25)17-18-10-14-33-15-11-18;1-13-6-7-15(12-16(13)21)20(25)24-10-8-14(9-11-24)19-22-17-4-2-3-5-18(17)23-19/h1-9,18-19,22,24H,10-17,20-21H2;1-7,10-11,16-17,20,22H,8-9,12-15,18-19H2;2-10,17-18,21H,11-16,19H2,1H3;2-7,16,18-19H,8-15,17H2,1H3;2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyNDFFMYSEBPLTQM-UHFFFAOYSA-N
MW2341.71 g/mol
LogP26.43
Rot. Bonds29

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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 (PubChem CID 159747414) has the molecular formula C137H141F8N15O12 and a molecular weight of 2341.71 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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
PubChem CID159747414
Molecular FormulaC137H141F8N15O12
Molecular Weight2341.71 g/mol
Exact Mass2340.08
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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
SMILESCOCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1F.COc1ccc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)cc1F.Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=C(c1ccc(OCC2CC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(c1ccc(OCC2CCOCC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C32H33F2N3O3.C30H29F2N3O2.C29H29F2N3O3.C26H30FN3O3.C20H20FN3O/c33-26-5-3-4-23(18-26)20-37-29-7-2-1-6-28(29)35-31(37)24-10-14-36(15-11-24)32(38)25-8-9-30(27(34)19-25)40-21-22-12-16-39-17-13-22;31-24-5-3-4-21(16-24)18-35-27-7-2-1-6-26(27)33-29(35)22-12-14-34(15-13-22)30(36)23-10-11-28(25(32)17-23)37-19-20-8-9-20;1-36-15-16-37-27-10-9-22(18-24(27)31)29(35)33-13-11-21(12-14-33)28-32-25-7-2-3-8-26(25)34(28)19-20-5-4-6-23(30)17-20;1-32-24-7-6-20(16-21(24)27)26(31)29-12-8-19(9-13-29)25-28-22-4-2-3-5-23(22)30(25)17-18-10-14-33-15-11-18;1-13-6-7-15(12-16(13)21)20(25)24-10-8-14(9-11-24)19-22-17-4-2-3-5-18(17)23-19/h1-9,18-19,22,24H,10-17,20-21H2;1-7,10-11,16-17,20,22H,8-9,12-15,18-19H2;2-10,17-18,21H,11-16,19H2,1H3;2-7,16,18-19H,8-15,17H2,1H3;2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyNDFFMYSEBPLTQM-UHFFFAOYSA-N
XLogP26.43
TPSA266.12 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002341.71
LogP ≤ 526.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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 with MolForge

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 87579197
[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
CID 159148044
CID 159148044
1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine
CID 159178216
[4-(1H-benzimidazol-2-yl)-4-methylpiperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanone;[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 160646928
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]aniline;N-[4-methyl-3-[(5-methyl-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-[[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]anilino]methyl]phenyl]acetamide;N-[4-methyl-3-[(4-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161741749
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
2-(4,4-difluoropiperidin-1-yl)-1-[3-fluoro-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[3-fluoro-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-(4-phenylpiperazin-1-yl)ethanone;2-(2-methylbenzimidazol-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 162209022
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 173072905
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 173110980
3-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
CID 173170211
N-[3-(dimethylamino)propyl]-2-[2-[4-[2-[2-[2-[4-[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 71588811

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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 159747414) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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 is COCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1F.COc1ccc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)cc1F.Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=C(c1ccc(OCC2CC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(c1ccc(OCC2CCOCC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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?
The InChIKey is NDFFMYSEBPLTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N3O3.C30H29F2N3O2.C29H29F2N3O3.C26H30FN3O3.C20H20FN3O/c33-26-5-3-4-23(18-26)20-37-29-7-2-1-6-28(29)35-31(37)24-10-14-36(15-11-24)32(38)25-8-9-30(27(34)19-25)40-21-22-12-16-39-17-13-22;31-24-5-3-4-21(16-24)18-35-27-7-2-1-6-26(27)33-29(35)22-12-14-34(15-13-22)30(36)23-10-11-28(25(32)17-23)37-19-20-8-9-20;1-36-15-16-37-27-10-9-22(18-24(27)31)29(35)33-13-11-21(12-14-33)28-32-25-7-2-3-8-26(25)34(28)19-20-5-4-6-23(30)17-20;1-32-24-7-6-20(16-21(24)27)26(31)29-12-8-19(9-13-29)25-28-22-4-2-3-5-23(22)30(25)17-18-10-14-33-15-11-18;1-13-6-7-15(12-16(13)21)20(25)24-10-8-14(9-11-24)19-22-17-4-2-3-5-18(17)23-19/h1-9,18-19,22,24H,10-17,20-21H2;1-7,10-11,16-17,20,22H,8-9,12-15,18-19H2;2-10,17-18,21H,11-16,19H2,1H3;2-7,16,18-19H,8-15,17H2,1H3;2-7,12,14H,8-11H2,1H3,(H,22,23).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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 has a molecular weight of 2341.71 g/mol, XLogP of 26.43, 29 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)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-(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 is sourced from PubChem (CID 159747414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).