4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one

C119H142Cl4N22O14 — CID 158666673

About 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one

4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 158666673) has the molecular formula C119H142Cl4N22O14 and a molecular weight of 2246.40 g/mol. Its IUPAC name is 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one
• PubChem CID: 158666673
• Molecular Formula: C119H142Cl4N22O14
• Molecular Weight: 2246.40 g/mol
• Exact Mass: 2242.98
• IUPAC Name: 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one
• SMILES: COCCN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.COc1ccc([C@H](O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(C5CCOCC5)CC4)cc3[nH]2)cc1Cl.COc1ccc([C@H](O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCO)CC4)cc3[nH]2)cc1Cl.Cc1cc(C2CCN(C3CCOCC3)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12
• InChI: InChI=1S/C32H38ClN5O4.C30H36ClN5O4.C29H34ClN5O4.C28H34ClN7O2/c1-19-15-22(20-6-11-38(12-7-20)23-8-13-42-14-9-23)17-26-30(19)37-31(36-26)29-25(5-10-34-32(29)40)35-18-27(39)21-3-4-28(41-2)24(33)16-21;1-18-14-21(19-7-10-36(11-8-19)12-13-39-2)16-24-28(18)35-29(34-24)27-23(6-9-32-30(27)38)33-17-25(37)20-4-5-26(40-3)22(31)15-20;1-17-13-20(18-6-9-35(10-7-18)11-12-36)15-23-27(17)34-28(33-23)26-22(5-8-31-29(26)38)32-16-24(37)19-3-4-25(39-2)21(30)14-19;1-18-14-20(19-3-9-35(10-4-19)22-5-12-38-13-6-22)15-24-26(18)34-27(33-24)25-23(2-7-31-28(25)37)30-8-11-36-17-21(29)16-32-36/h3-5,10,15-17,20,23,27,39H,6-9,11-14,18H2,1-2H3,(H,36,37)(H2,34,35,40);4-6,9,14-16,19,25,37H,7-8,10-13,17H2,1-3H3,(H,34,35)(H2,32,33,38);3-5,8,13-15,18,24,36-37H,6-7,9-12,16H2,1-2H3,(H,33,34)(H2,31,32,38);2,7,14-17,19,22H,3-6,8-13H2,1H3,(H,33,34)(H2,30,31,37)/t27-;25-;24-;/m111./s1
• InChIKey: IDLDXFRGIIIZRC-LGUXWPPOSA-N
• XLogP: 19.01
• TPSA: 461.36 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.40
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

The IUPAC name of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one (CID 158666673) is 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one is COCCN1CCC(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5ccc(OC)c(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1.COc1ccc([C@H](O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(C5CCOCC5)CC4)cc3[nH]2)cc1Cl.COc1ccc([C@H](O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(C4CCN(CCO)CC4)cc3[nH]2)cc1Cl.Cc1cc(C2CCN(C3CCOCC3)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12.

What is the InChIKey of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

The InChIKey is IDLDXFRGIIIZRC-LGUXWPPOSA-N. The full InChI is InChI=1S/C32H38ClN5O4.C30H36ClN5O4.C29H34ClN5O4.C28H34ClN7O2/c1-19-15-22(20-6-11-38(12-7-20)23-8-13-42-14-9-23)17-26-30(19)37-31(36-26)29-25(5-10-34-32(29)40)35-18-27(39)21-3-4-28(41-2)24(33)16-21;1-18-14-21(19-7-10-36(11-8-19)12-13-39-2)16-24-28(18)35-29(34-24)27-23(6-9-32-30(27)38)33-17-25(37)20-4-5-26(40-3)22(31)15-20;1-17-13-20(18-6-9-35(10-7-18)11-12-36)15-23-27(17)34-28(33-23)26-22(5-8-31-29(26)38)32-16-24(37)19-3-4-25(39-2)21(30)14-19;1-18-14-20(19-3-9-35(10-4-19)22-5-12-38-13-6-22)15-24-26(18)34-27(33-24)25-23(2-7-31-28(25)37)30-8-11-36-17-21(29)16-32-36/h3-5,10,15-17,20,23,27,39H,6-9,11-14,18H2,1-2H3,(H,36,37)(H2,34,35,40);4-6,9,14-16,19,25,37H,7-8,10-13,17H2,1-3H3,(H,34,35)(H2,32,33,38);3-5,8,13-15,18,24,36-37H,6-7,9-12,16H2,1-2H3,(H,33,34)(H2,31,32,38);2,7,14-17,19,22H,3-6,8-13H2,1H3,(H,33,34)(H2,30,31,37)/t27-;25-;24-;/m111./s1.

What are the key properties of 4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one?

4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[6-[1-(2-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 2246.40 g/mol, XLogP of 19.01, 34 rotatable bonds, 16 hydrogen bond donors, and 28 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-hydroxyethyl)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-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[[(2S)-2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one;4-[2-(4-chloropyrazol-1-yl)ethylamino]-3-[4-methyl-6-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158666673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).