4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate

C119H136Cl4N22O17 — CID 159198054

IUPAC4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.COCCOC(=O)N1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.[H]/N=C/CCN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.[H]/N=C/CN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C31H36ClN5O6.C30H35ClN6O3.C29H33ClN6O3.C29H32ClN5O5/c1-18-14-21(19-7-10-37(11-8-19)31(40)43-13-12-41-2)16-24-28(18)36-29(35-24)27-23(6-9-33-30(27)39)34-17-25(38)20-4-5-26(42-3)22(32)15-20;1-18-14-21(19-7-12-37(13-8-19)11-3-9-32)16-24-28(18)36-29(35-24)27-23(6-10-33-30(27)39)34-17-25(38)20-4-5-26(40-2)22(31)15-20;1-17-13-20(18-6-10-36(11-7-18)12-8-31)15-23-27(17)35-28(34-23)26-22(5-9-32-29(26)38)33-16-24(37)19-3-4-25(39-2)21(30)14-19;1-16-12-19(17-7-10-35(11-8-17)29(38)40-3)14-22-26(16)34-27(33-22)25-21(6-9-31-28(25)37)32-15-23(36)18-4-5-24(39-2)20(30)13-18/h4-6,9,14-16,19,25,38H,7-8,10-13,17H2,1-3H3,(H,35,36)(H2,33,34,39);4-6,9-10,14-16,19,25,32,38H,3,7-8,11-13,17H2,1-2H3,(H,35,36)(H2,33,34,39);3-5,8-9,13-15,18,24,31,37H,6-7,10-12,16H2,1-2H3,(H,34,35)(H2,32,33,38);4-6,9,12-14,17,23,36H,7-8,10-11,15H2,1-3H3,(H,33,34)(H2,31,32,37)/b;32-9+;31-8+;/t2*25-;24-;23-/m1111/s1
InChIKeyKOXOSHFGLSKUCC-CEGHNEEUSA-N
MW2288.35 g/mol
LogP20.09
Rot. Bonds36

About 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate

4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate (PubChem CID 159198054) has the molecular formula C119H136Cl4N22O17 and a molecular weight of 2288.35 g/mol. Its IUPAC name is 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate
PubChem CID159198054
Molecular FormulaC119H136Cl4N22O17
Molecular Weight2288.35 g/mol
Exact Mass2284.92
IUPAC Name4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.COCCOC(=O)N1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.[H]/N=C/CCN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.[H]/N=C/CN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C31H36ClN5O6.C30H35ClN6O3.C29H33ClN6O3.C29H32ClN5O5/c1-18-14-21(19-7-10-37(11-8-19)31(40)43-13-12-41-2)16-24-28(18)36-29(35-24)27-23(6-9-33-30(27)39)34-17-25(38)20-4-5-26(42-3)22(32)15-20;1-18-14-21(19-7-12-37(13-8-19)11-3-9-32)16-24-28(18)36-29(35-24)27-23(6-10-33-30(27)39)34-17-25(38)20-4-5-26(40-2)22(31)15-20;1-17-13-20(18-6-10-36(11-7-18)12-8-31)15-23-27(17)35-28(34-23)26-22(5-9-32-29(26)38)33-16-24(37)19-3-4-25(39-2)21(30)14-19;1-16-12-19(17-7-10-35(11-8-17)29(38)40-3)14-22-26(16)34-27(33-22)25-21(6-9-31-28(25)37)32-15-23(36)18-4-5-24(39-2)20(30)13-18/h4-6,9,14-16,19,25,38H,7-8,10-13,17H2,1-3H3,(H,35,36)(H2,33,34,39);4-6,9-10,14-16,19,25,32,38H,3,7-8,11-13,17H2,1-2H3,(H,35,36)(H2,33,34,39);3-5,8-9,13-15,18,24,31,37H,6-7,10-12,16H2,1-2H3,(H,34,35)(H2,32,33,38);4-6,9,12-14,17,23,36H,7-8,10-11,15H2,1-3H3,(H,33,34)(H2,31,32,37)/b;32-9+;31-8+;/t2*25-;24-;23-/m1111/s1
InChIKeyKOXOSHFGLSKUCC-CEGHNEEUSA-N
XLogP20.09
TPSA534.61 Ų
H-Bond Donors18
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002288.35
LogP ≤ 520.09
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate (CID 159198054) is 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.COCCOC(=O)N1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.[H]/N=C/CCN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.[H]/N=C/CN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate?
The InChIKey is KOXOSHFGLSKUCC-CEGHNEEUSA-N. The full InChI is InChI=1S/C31H36ClN5O6.C30H35ClN6O3.C29H33ClN6O3.C29H32ClN5O5/c1-18-14-21(19-7-10-37(11-8-19)31(40)43-13-12-41-2)16-24-28(18)36-29(35-24)27-23(6-9-33-30(27)39)34-17-25(38)20-4-5-26(42-3)22(32)15-20;1-18-14-21(19-7-12-37(13-8-19)11-3-9-32)16-24-28(18)36-29(35-24)27-23(6-10-33-30(27)39)34-17-25(38)20-4-5-26(40-2)22(31)15-20;1-17-13-20(18-6-10-36(11-7-18)12-8-31)15-23-27(17)35-28(34-23)26-22(5-9-32-29(26)38)33-16-24(37)19-3-4-25(39-2)21(30)14-19;1-16-12-19(17-7-10-35(11-8-17)29(38)40-3)14-22-26(16)34-27(33-22)25-21(6-9-31-28(25)37)32-15-23(36)18-4-5-24(39-2)20(30)13-18/h4-6,9,14-16,19,25,38H,7-8,10-13,17H2,1-3H3,(H,35,36)(H2,33,34,39);4-6,9-10,14-16,19,25,32,38H,3,7-8,11-13,17H2,1-2H3,(H,35,36)(H2,33,34,39);3-5,8-9,13-15,18,24,31,37H,6-7,10-12,16H2,1-2H3,(H,34,35)(H2,32,33,38);4-6,9,12-14,17,23,36H,7-8,10-11,15H2,1-3H3,(H,33,34)(H2,31,32,37)/b;32-9+;31-8+;/t2*25-;24-;23-/m1111/s1.
What are the key properties of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate?
4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate has a molecular weight of 2288.35 g/mol, XLogP of 20.09, 36 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-iminoethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(3-iminopropyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;2-methoxyethyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate;methyl 4-[2-[4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159198054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).