[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

C134H146F5N15O14 — CID 157214047

IUPAC[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
SMILESCOCCn1c(C2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)nc2ccccc21.COc1ccc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)cc1F.Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCC2)CC1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCOCC2)CC1
InChIInChI=1S/C33H36FN3O4.C32H34FN3O3.C26H30FN3O3.C23H26FN3O3.C20H20FN3O/c34-28-5-3-4-24(18-28)22-41-31-9-8-26(19-27(31)21-38)33(39)36-14-10-25(11-15-36)32-35-29-6-1-2-7-30(29)37(32)20-23-12-16-40-17-13-23;33-27-8-4-7-23(17-27)21-39-30-12-11-25(18-26(30)20-37)32(38)35-15-13-24(14-16-35)31-34-28-9-1-2-10-29(28)36(31)19-22-5-3-6-22;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;1-29-14-13-27-20-6-4-3-5-19(20)25-22(27)16-9-11-26(12-10-16)23(28)17-7-8-21(30-2)18(24)15-17;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/h1-9,18-19,23,25,38H,10-17,20-22H2;1-2,4,7-12,17-18,22,24,37H,3,5-6,13-16,19-21H2;2-7,16,18-19H,8-15,17H2,1H3;3-8,15-16H,9-14H2,1-2H3;2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyASFCSQXRKYJXPP-UHFFFAOYSA-N
MW2285.72 g/mol
LogP24.27
Rot. Bonds29

About [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

[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 (PubChem CID 157214047) has the molecular formula C134H146F5N15O14 and a molecular weight of 2285.72 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID157214047
Molecular FormulaC134H146F5N15O14
Molecular Weight2285.72 g/mol
Exact Mass2284.11
IUPAC Name[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
SMILESCOCCn1c(C2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)nc2ccccc21.COc1ccc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)cc1F.Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCC2)CC1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCOCC2)CC1
InChIInChI=1S/C33H36FN3O4.C32H34FN3O3.C26H30FN3O3.C23H26FN3O3.C20H20FN3O/c34-28-5-3-4-24(18-28)22-41-31-9-8-26(19-27(31)21-38)33(39)36-14-10-25(11-15-36)32-35-29-6-1-2-7-30(29)37(32)20-23-12-16-40-17-13-23;33-27-8-4-7-23(17-27)21-39-30-12-11-25(18-26(30)20-37)32(38)35-15-13-24(14-16-35)31-34-28-9-1-2-10-29(28)36(31)19-22-5-3-6-22;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;1-29-14-13-27-20-6-4-3-5-19(20)25-22(27)16-9-11-26(12-10-16)23(28)17-7-8-21(30-2)18(24)15-17;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/h1-9,18-19,23,25,38H,10-17,20-22H2;1-2,4,7-12,17-18,22,24,37H,3,5-6,13-16,19-21H2;2-7,16,18-19H,8-15,17H2,1H3;3-8,15-16H,9-14H2,1-2H3;2-7,12,14H,8-11H2,1H3,(H,22,23)
InChIKeyASFCSQXRKYJXPP-UHFFFAOYSA-N
XLogP24.27
TPSA306.58 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002285.72
LogP ≤ 524.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze [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 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

[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
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
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
[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
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
[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
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
CID 157437934
[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-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
CID 157465337
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COCCn1c(C2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)nc2ccccc21.COc1ccc(C(=O)N2CCC(c3nc4ccccc4n3CC3CCOCC3)CC2)cc1F.Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1F.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCC2)CC1.O=C(c1ccc(OCc2cccc(F)c2)c(CO)c1)N1CCC(c2nc3ccccc3n2CC2CCOCC2)CC1.
What is the InChIKey of [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?
The InChIKey is ASFCSQXRKYJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN3O4.C32H34FN3O3.C26H30FN3O3.C23H26FN3O3.C20H20FN3O/c34-28-5-3-4-24(18-28)22-41-31-9-8-26(19-27(31)21-38)33(39)36-14-10-25(11-15-36)32-35-29-6-1-2-7-30(29)37(32)20-23-12-16-40-17-13-23;33-27-8-4-7-23(17-27)21-39-30-12-11-25(18-26(30)20-37)32(38)35-15-13-24(14-16-35)31-34-28-9-1-2-10-29(28)36(31)19-22-5-3-6-22;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;1-29-14-13-27-20-6-4-3-5-19(20)25-22(27)16-9-11-26(12-10-16)23(28)17-7-8-21(30-2)18(24)15-17;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/h1-9,18-19,23,25,38H,10-17,20-22H2;1-2,4,7-12,17-18,22,24,37H,3,5-6,13-16,19-21H2;2-7,16,18-19H,8-15,17H2,1H3;3-8,15-16H,9-14H2,1-2H3;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-[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?
[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 has a molecular weight of 2285.72 g/mol, XLogP of 24.27, 29 rotatable bonds, 3 hydrogen bond donors, and 23 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-[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 is sourced from PubChem (CID 157214047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).