4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

C174H188Cl6N38O12 — CID 157464166

IUPAC4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESC=CCN1CC2(C1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.CCN1CCC2(CCN(c3cc(C)c4nc(-c5c(NC[C@H](O)c6cccc(Cl)c6)cc[nH]c5=O)[nH]c4c3)C2)C1.CN1CCC2(CC1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.Cc1cc(N2CC3(C2)CN(c2ccccn2)C3)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.Cc1cc(N2CCC3(CCN(C)C3)C2)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.[H]/N=C(\C)N1CC2(C1)CN(c1cc(C)c3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2
InChIInChI=1S/C31H30ClN7O2.C30H35ClN6O2.C29H33ClN6O2.C28H30ClN7O2.C28H31ClN6O2.C28H29ClN6O2/c1-19-11-22(38-15-31(16-38)17-39(18-31)26-7-2-3-9-33-26)13-24-28(19)37-29(36-24)27-23(8-10-34-30(27)41)35-14-25(40)20-5-4-6-21(32)12-20;1-3-36-11-8-30(17-36)9-12-37(18-30)22-13-19(2)27-24(15-22)34-28(35-27)26-23(7-10-32-29(26)39)33-16-25(38)20-5-4-6-21(31)14-20;1-18-12-21(36-11-8-29(17-36)7-10-35(2)16-29)14-23-26(18)34-27(33-23)25-22(6-9-31-28(25)38)32-15-24(37)19-4-3-5-20(30)13-19;1-16-8-20(36-14-28(15-36)12-35(13-28)17(2)30)10-22-25(16)34-26(33-22)24-21(6-7-31-27(24)38)32-11-23(37)18-4-3-5-19(29)9-18;1-34-11-8-28(9-12-34)16-35(17-28)20-5-6-21-23(14-20)33-26(32-21)25-22(7-10-30-27(25)37)31-15-24(36)18-3-2-4-19(29)13-18;1-2-10-34-14-28(15-34)16-35(17-28)20-6-7-21-23(12-20)33-26(32-21)25-22(8-9-30-27(25)37)31-13-24(36)18-4-3-5-19(29)11-18/h2-13,25,40H,14-18H2,1H3,(H,36,37)(H2,34,35,41);4-7,10,13-15,25,38H,3,8-9,11-12,16-18H2,1-2H3,(H,34,35)(H2,32,33,39);3-6,9,12-14,24,37H,7-8,10-11,15-17H2,1-2H3,(H,33,34)(H2,31,32,38);3-10,23,30,37H,11-15H2,1-2H3,(H,33,34)(H2,31,32,38);2-7,10,13-14,24,36H,8-9,11-12,15-17H2,1H3,(H,32,33)(H2,30,31,37);2-9,11-12,24,36H,1,10,13-17H2,(H,32,33)(H2,30,31,37)/b;;;30-17+;;/t25-;25-,30?;24-,29?;23-;2*24-/m000000/s1
InChIKeyBUGVIIQMUITJHW-APQGMKPBSA-N
MW3216.39 g/mol
LogP26.67
Rot. Bonds40

About 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 157464166) has the molecular formula C174H188Cl6N38O12 and a molecular weight of 3216.39 g/mol. Its IUPAC name is 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID157464166
Molecular FormulaC174H188Cl6N38O12
Molecular Weight3216.39 g/mol
Exact Mass3211.34
IUPAC Name4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
SMILESC=CCN1CC2(C1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.CCN1CCC2(CCN(c3cc(C)c4nc(-c5c(NC[C@H](O)c6cccc(Cl)c6)cc[nH]c5=O)[nH]c4c3)C2)C1.CN1CCC2(CC1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.Cc1cc(N2CC3(C2)CN(c2ccccn2)C3)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.Cc1cc(N2CCC3(CCN(C)C3)C2)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.[H]/N=C(\C)N1CC2(C1)CN(c1cc(C)c3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2
InChIInChI=1S/C31H30ClN7O2.C30H35ClN6O2.C29H33ClN6O2.C28H30ClN7O2.C28H31ClN6O2.C28H29ClN6O2/c1-19-11-22(38-15-31(16-38)17-39(18-31)26-7-2-3-9-33-26)13-24-28(19)37-29(36-24)27-23(8-10-34-30(27)41)35-14-25(40)20-5-4-6-21(32)12-20;1-3-36-11-8-30(17-36)9-12-37(18-30)22-13-19(2)27-24(15-22)34-28(35-27)26-23(7-10-32-29(26)39)33-16-25(38)20-5-4-6-21(31)14-20;1-18-12-21(36-11-8-29(17-36)7-10-35(2)16-29)14-23-26(18)34-27(33-23)25-22(6-9-31-28(25)38)32-15-24(37)19-4-3-5-20(30)13-19;1-16-8-20(36-14-28(15-36)12-35(13-28)17(2)30)10-22-25(16)34-26(33-22)24-21(6-7-31-27(24)38)32-11-23(37)18-4-3-5-19(29)9-18;1-34-11-8-28(9-12-34)16-35(17-28)20-5-6-21-23(14-20)33-26(32-21)25-22(7-10-30-27(25)37)31-15-24(36)18-3-2-4-19(29)13-18;1-2-10-34-14-28(15-34)16-35(17-28)20-6-7-21-23(12-20)33-26(32-21)25-22(8-9-30-27(25)37)31-13-24(36)18-4-3-5-19(29)11-18/h2-13,25,40H,14-18H2,1H3,(H,36,37)(H2,34,35,41);4-7,10,13-15,25,38H,3,8-9,11-12,16-18H2,1-2H3,(H,34,35)(H2,32,33,39);3-6,9,12-14,24,37H,7-8,10-11,15-17H2,1-2H3,(H,33,34)(H2,31,32,38);3-10,23,30,37H,11-15H2,1-2H3,(H,33,34)(H2,31,32,38);2-7,10,13-14,24,36H,8-9,11-12,15-17H2,1H3,(H,32,33)(H2,30,31,37);2-9,11-12,24,36H,1,10,13-17H2,(H,32,33)(H2,30,31,37)/b;;;30-17+;;/t25-;25-,30?;24-,29?;23-;2*24-/m000000/s1
InChIKeyBUGVIIQMUITJHW-APQGMKPBSA-N
XLogP26.67
TPSA638.42 Ų
H-Bond Donors25
H-Bond Acceptors37
Rotatable Bonds40
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003216.39
LogP ≤ 526.67
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 157464166) is 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is C=CCN1CC2(C1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.CCN1CCC2(CCN(c3cc(C)c4nc(-c5c(NC[C@H](O)c6cccc(Cl)c6)cc[nH]c5=O)[nH]c4c3)C2)C1.CN1CCC2(CC1)CN(c1ccc3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.Cc1cc(N2CC3(C2)CN(c2ccccn2)C3)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.Cc1cc(N2CCC3(CCN(C)C3)C2)cc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.[H]/N=C(\C)N1CC2(C1)CN(c1cc(C)c3nc(-c4c(NC[C@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c1)C2.
What is the InChIKey of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is BUGVIIQMUITJHW-APQGMKPBSA-N. The full InChI is InChI=1S/C31H30ClN7O2.C30H35ClN6O2.C29H33ClN6O2.C28H30ClN7O2.C28H31ClN6O2.C28H29ClN6O2/c1-19-11-22(38-15-31(16-38)17-39(18-31)26-7-2-3-9-33-26)13-24-28(19)37-29(36-24)27-23(8-10-34-30(27)41)35-14-25(40)20-5-4-6-21(32)12-20;1-3-36-11-8-30(17-36)9-12-37(18-30)22-13-19(2)27-24(15-22)34-28(35-27)26-23(7-10-32-29(26)39)33-16-25(38)20-5-4-6-21(31)14-20;1-18-12-21(36-11-8-29(17-36)7-10-35(2)16-29)14-23-26(18)34-27(33-23)25-22(6-9-31-28(25)38)32-15-24(37)19-4-3-5-20(30)13-19;1-16-8-20(36-14-28(15-36)12-35(13-28)17(2)30)10-22-25(16)34-26(33-22)24-21(6-7-31-27(24)38)32-11-23(37)18-4-3-5-19(29)9-18;1-34-11-8-28(9-12-34)16-35(17-28)20-5-6-21-23(14-20)33-26(32-21)25-22(7-10-30-27(25)37)31-15-24(36)18-3-2-4-19(29)13-18;1-2-10-34-14-28(15-34)16-35(17-28)20-6-7-21-23(12-20)33-26(32-21)25-22(8-9-30-27(25)37)31-13-24(36)18-4-3-5-19(29)11-18/h2-13,25,40H,14-18H2,1H3,(H,36,37)(H2,34,35,41);4-7,10,13-15,25,38H,3,8-9,11-12,16-18H2,1-2H3,(H,34,35)(H2,32,33,39);3-6,9,12-14,24,37H,7-8,10-11,15-17H2,1-2H3,(H,33,34)(H2,31,32,38);3-10,23,30,37H,11-15H2,1-2H3,(H,33,34)(H2,31,32,38);2-7,10,13-14,24,36H,8-9,11-12,15-17H2,1H3,(H,32,33)(H2,30,31,37);2-9,11-12,24,36H,1,10,13-17H2,(H,32,33)(H2,30,31,37)/b;;;30-17+;;/t25-;25-,30?;24-,29?;23-;2*24-/m000000/s1.
What are the key properties of 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one?
4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 3216.39 g/mol, XLogP of 26.67, 40 rotatable bonds, 25 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(2-ethanimidoyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(6-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(6-prop-2-enyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 157464166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).