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

C123H135F5N14O8 — CID 158497930

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.COCCn1c(C2CCN(C(=O)c3ccc(OCc4cccc(F)c4)c(CO)c3)CC2)nc2ccccc21.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(C1CC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C30H32FN3O4.C26H30FN3O.C24H28FN3O2.C23H24FN3O.C20H21FN2/c1-37-16-15-34-27-8-3-2-7-26(27)32-29(34)22-11-13-33(14-12-22)30(36)23-9-10-28(24(18-23)19-35)38-20-21-5-4-6-25(31)17-21;27-22-10-6-7-19(17-22)18-30-24-12-5-4-11-23(24)28-25(30)20-13-15-29(16-14-20)26(31)21-8-2-1-3-9-21;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;24-19-5-3-4-16(14-19)15-27-21-7-2-1-6-20(21)25-22(27)17-10-12-26(13-11-17)23(28)18-8-9-18;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h2-10,17-18,22,35H,11-16,19-20H2,1H3;4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2;4-10,15,18H,11-14,16H2,1-3H3;1-7,14,17-18H,8-13,15H2;4-7,10-13,16H,1-3,8-9,14H2
InChIKeyHJNICBCIXMRPIW-UHFFFAOYSA-N
MW2032.51 g/mol
LogP25.37
Rot. Bonds23

About 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

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 (PubChem CID 158497930) has the molecular formula C123H135F5N14O8 and a molecular weight of 2032.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158497930
Molecular FormulaC123H135F5N14O8
Molecular Weight2032.51 g/mol
Exact Mass2031.05
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.COCCn1c(C2CCN(C(=O)c3ccc(OCc4cccc(F)c4)c(CO)c3)CC2)nc2ccccc21.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(C1CC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C30H32FN3O4.C26H30FN3O.C24H28FN3O2.C23H24FN3O.C20H21FN2/c1-37-16-15-34-27-8-3-2-7-26(27)32-29(34)22-11-13-33(14-12-22)30(36)23-9-10-28(24(18-23)19-35)38-20-21-5-4-6-25(31)17-21;27-22-10-6-7-19(17-22)18-30-24-12-5-4-11-23(24)28-25(30)20-13-15-29(16-14-20)26(31)21-8-2-1-3-9-21;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;24-19-5-3-4-16(14-19)15-27-21-7-2-1-6-20(21)25-22(27)17-10-12-26(13-11-17)23(28)18-8-9-18;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h2-10,17-18,22,35H,11-16,19-20H2,1H3;4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2;4-10,15,18H,11-14,16H2,1-3H3;1-7,14,17-18H,8-13,15H2;4-7,10-13,16H,1-3,8-9,14H2
InChIKeyHJNICBCIXMRPIW-UHFFFAOYSA-N
XLogP25.37
TPSA218.26 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.51
LogP ≤ 525.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

[4-[(3-Fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 155605911
[4-[(4-Fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
CID 155605914
[4-[(3-Fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
CID 155605915
[4-[(3-Fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 155605917
[4-[(3-Fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 155605924
[4-[(3-Fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 155605925
2-[3-[4-Ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid
CID 158987792
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
[4-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]phenyl]methanone
CID 158247272
[4-[1-[(3-Fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-(hydroxymethyl)-4-[(3-methylphenyl)methoxy]phenyl]methanone
CID 158247273
[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
[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.COCCn1c(C2CCN(C(=O)c3ccc(OCc4cccc(F)c4)c(CO)c3)CC2)nc2ccccc21.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(C1CC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.
What is the InChIKey of 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?
The InChIKey is HJNICBCIXMRPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O4.C26H30FN3O.C24H28FN3O2.C23H24FN3O.C20H21FN2/c1-37-16-15-34-27-8-3-2-7-26(27)32-29(34)22-11-13-33(14-12-22)30(36)23-9-10-28(24(18-23)19-35)38-20-21-5-4-6-25(31)17-21;27-22-10-6-7-19(17-22)18-30-24-12-5-4-11-23(24)28-25(30)20-13-15-29(16-14-20)26(31)21-8-2-1-3-9-21;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;24-19-5-3-4-16(14-19)15-27-21-7-2-1-6-20(21)25-22(27)17-10-12-26(13-11-17)23(28)18-8-9-18;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h2-10,17-18,22,35H,11-16,19-20H2,1H3;4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2;4-10,15,18H,11-14,16H2,1-3H3;1-7,14,17-18H,8-13,15H2;4-7,10-13,16H,1-3,8-9,14H2.
What are the key properties of 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?
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 has a molecular weight of 2032.51 g/mol, XLogP of 25.37, 23 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158497930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).