1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole

C121H146BrF2N21O2 — CID 158699613

IUPAC1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
SMILESBrc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.C(=C/c1ccccc1)\CN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1.Fc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.Fc1cccc2c1nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.O=C(NCCCN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1)OCc1ccccc1
InChIInChI=1S/C27H35N5O2.C25H30N4.C23H27BrN4.2C23H27FN4/c33-27(34-20-21-7-2-1-3-8-21)29-14-6-16-31-17-12-23(13-18-31)32-25-10-5-4-9-24(25)30-26(32)22-11-15-28-19-22;1-2-7-20(8-3-1)9-6-16-28-17-13-22(14-18-28)29-24-11-5-4-10-23(24)27-25(29)21-12-15-26-19-21;24-19-6-7-22-21(14-19)26-23(18-8-11-25-15-18)28(22)20-9-12-27(13-10-20)16-17-4-2-1-3-5-17;24-20-7-4-8-21-22(20)26-23(18-9-12-25-15-18)28(21)19-10-13-27(14-11-19)16-17-5-2-1-3-6-17;24-19-6-7-22-21(14-19)26-23(18-8-11-25-15-18)28(22)20-9-12-27(13-10-20)16-17-4-2-1-3-5-17/h1-5,7-10,22-23,28H,6,11-20H2,(H,29,33);1-11,21-22,26H,12-19H2;1-7,14,18,20,25H,8-13,15-16H2;1-8,18-19,25H,9-16H2;1-7,14,18,20,25H,8-13,15-16H2/b;9-6+;;;/t22-;21-;3*18-/m11111/s1
InChIKeyIHJJFFOVUIVSDM-HEHCZGRHSA-N
MW2044.54 g/mol
LogP21.42
Rot. Bonds25

About 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole

1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole (PubChem CID 158699613) has the molecular formula C121H146BrF2N21O2 and a molecular weight of 2044.54 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
PubChem CID158699613
Molecular FormulaC121H146BrF2N21O2
Molecular Weight2044.54 g/mol
Exact Mass2042.11
IUPAC Name1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
SMILESBrc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.C(=C/c1ccccc1)\CN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1.Fc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.Fc1cccc2c1nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.O=C(NCCCN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1)OCc1ccccc1
InChIInChI=1S/C27H35N5O2.C25H30N4.C23H27BrN4.2C23H27FN4/c33-27(34-20-21-7-2-1-3-8-21)29-14-6-16-31-17-12-23(13-18-31)32-25-10-5-4-9-24(25)30-26(32)22-11-15-28-19-22;1-2-7-20(8-3-1)9-6-16-28-17-13-22(14-18-28)29-24-11-5-4-10-23(24)27-25(29)21-12-15-26-19-21;24-19-6-7-22-21(14-19)26-23(18-8-11-25-15-18)28(22)20-9-12-27(13-10-20)16-17-4-2-1-3-5-17;24-20-7-4-8-21-22(20)26-23(18-9-12-25-15-18)28(21)19-10-13-27(14-11-19)16-17-5-2-1-3-6-17;24-19-6-7-22-21(14-19)26-23(18-8-11-25-15-18)28(22)20-9-12-27(13-10-20)16-17-4-2-1-3-5-17/h1-5,7-10,22-23,28H,6,11-20H2,(H,29,33);1-11,21-22,26H,12-19H2;1-7,14,18,20,25H,8-13,15-16H2;1-8,18-19,25H,9-16H2;1-7,14,18,20,25H,8-13,15-16H2/b;9-6+;;;/t22-;21-;3*18-/m11111/s1
InChIKeyIHJJFFOVUIVSDM-HEHCZGRHSA-N
XLogP21.42
TPSA203.78 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002044.54
LogP ≤ 521.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole with MolForge

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Related Compounds

benzyl 8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;2-fluoro-5-nitroaniline;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;bis(2-methyl-8-nitro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole);1-methylpiperazine;2-(4-methylpiperazin-1-yl)-5-nitroaniline;8-nitro-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
CID 157236176
benzyl N-[[1-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methyl]-N-(2-piperidin-1-ylethyl)carbamate;benzyl N-(2-piperidin-1-ylethyl)-N-(pyrrolidin-3-ylmethyl)carbamate;4-bromo-1,2-dimethylpyrrolo[2,3-b]pyridine;tert-butyl 3-[[phenylmethoxycarbonyl(2-piperidin-1-ylethyl)amino]methyl]pyrrolidine-1-carboxylate;N-[[1-(1,2-dimethylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methyl]-2-piperidin-1-ylethanamine;hydrochloride
CID 160801053

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole (CID 158699613) is 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole is Brc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.C(=C/c1ccccc1)\CN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1.Fc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.Fc1cccc2c1nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1.O=C(NCCCN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1)OCc1ccccc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole?
The InChIKey is IHJJFFOVUIVSDM-HEHCZGRHSA-N. The full InChI is InChI=1S/C27H35N5O2.C25H30N4.C23H27BrN4.2C23H27FN4/c33-27(34-20-21-7-2-1-3-8-21)29-14-6-16-31-17-12-23(13-18-31)32-25-10-5-4-9-24(25)30-26(32)22-11-15-28-19-22;1-2-7-20(8-3-1)9-6-16-28-17-13-22(14-18-28)29-24-11-5-4-10-23(24)27-25(29)21-12-15-26-19-21;24-19-6-7-22-21(14-19)26-23(18-8-11-25-15-18)28(22)20-9-12-27(13-10-20)16-17-4-2-1-3-5-17;24-20-7-4-8-21-22(20)26-23(18-9-12-25-15-18)28(21)19-10-13-27(14-11-19)16-17-5-2-1-3-6-17;24-19-6-7-22-21(14-19)26-23(18-8-11-25-15-18)28(22)20-9-12-27(13-10-20)16-17-4-2-1-3-5-17/h1-5,7-10,22-23,28H,6,11-20H2,(H,29,33);1-11,21-22,26H,12-19H2;1-7,14,18,20,25H,8-13,15-16H2;1-8,18-19,25H,9-16H2;1-7,14,18,20,25H,8-13,15-16H2/b;9-6+;;;/t22-;21-;3*18-/m11111/s1.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole?
1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole has a molecular weight of 2044.54 g/mol, XLogP of 21.42, 25 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-5-bromo-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-4-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-(1-benzylpiperidin-4-yl)-5-fluoro-2-[(3R)-pyrrolidin-3-yl]benzimidazole;benzyl N-[3-[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]propyl]carbamate;1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole is sourced from PubChem (CID 158699613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).