2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride

C125H162Cl3N29O13 — CID 157267996

About 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride

2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride (PubChem CID 157267996) has the molecular formula C125H162Cl3N29O13 and a molecular weight of 2385.22 g/mol. Its IUPAC name is 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride
• PubChem CID: 157267996
• Molecular Formula: C125H162Cl3N29O13
• Molecular Weight: 2385.22 g/mol
• Exact Mass: 2382.20
• IUPAC Name: 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride
• SMILES: CCOC(=O)N1CCC(N)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3[nH]2)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)N1CCC(Nc2nc3cccc(C)c3n2Cc2nc(C)ccc2O)CC1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3cccc(C)c32)n1.Cc1cccc2[nH]c(Cl)nc12.Cl
• InChI: InChI=1S/2C23H29N5O3.2C20H25N5O.C16H22N4O2.C8H7ClN2.C8H16N2O2.C7H8ClNO.ClH/c1-4-31-23(30)27-12-10-17(11-13-27)25-22-26-21-15(2)6-5-7-19(21)28(22)14-18-20(29)9-8-16(3)24-18;1-4-31-23(30)27-12-10-17(11-13-27)25-22-26-18-7-5-6-15(2)21(18)28(22)14-19-20(29)9-8-16(3)24-19;1-13-4-3-5-17-19(13)24-20(23-15-8-10-21-11-9-15)25(17)12-16-18(26)7-6-14(2)22-16;1-13-4-3-5-16-19(13)25(12-17-18(26)7-6-14(2)22-17)20(24-16)23-15-8-10-21-11-9-15;1-3-22-16(21)20-9-7-12(8-10-20)17-15-18-13-6-4-5-11(2)14(13)19-15;1-5-3-2-4-6-7(5)11-8(9)10-6;1-2-12-8(11)10-5-3-7(9)4-6-10;1-5-2-3-7(10)6(4-8)9-5;/h2*5-9,17,29H,4,10-14H2,1-3H3,(H,25,26);2*3-7,15,21,26H,8-12H2,1-2H3,(H,23,24);4-6,12H,3,7-10H2,1-2H3,(H2,17,18,19);2-4H,1H3,(H,10,11);7H,2-6,9H2,1H3;2-3,10H,4H2,1H3;1H
• InChIKey: UBDSSHNXXPQLKM-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 522.63 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2385.22
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride?

The IUPAC name of 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride (CID 157267996) is 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride.

What is the SMILES notation for 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride?

The canonical SMILES for 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride is CCOC(=O)N1CCC(N)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3[nH]2)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)N1CCC(Nc2nc3cccc(C)c3n2Cc2nc(C)ccc2O)CC1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3c(C)cccc32)n1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3cccc(C)c32)n1.Cc1cccc2[nH]c(Cl)nc12.Cl.

What is the InChIKey of 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride?

The InChIKey is UBDSSHNXXPQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29N5O3.2C20H25N5O.C16H22N4O2.C8H7ClN2.C8H16N2O2.C7H8ClNO.ClH/c1-4-31-23(30)27-12-10-17(11-13-27)25-22-26-21-15(2)6-5-7-19(21)28(22)14-18-20(29)9-8-16(3)24-18;1-4-31-23(30)27-12-10-17(11-13-27)25-22-26-18-7-5-6-15(2)21(18)28(22)14-19-20(29)9-8-16(3)24-19;1-13-4-3-5-17-19(13)24-20(23-15-8-10-21-11-9-15)25(17)12-16-18(26)7-6-14(2)22-16;1-13-4-3-5-16-19(13)25(12-17-18(26)7-6-14(2)22-17)20(24-16)23-15-8-10-21-11-9-15;1-3-22-16(21)20-9-7-12(8-10-20)17-15-18-13-6-4-5-11(2)14(13)19-15;1-5-3-2-4-6-7(5)11-8(9)10-6;1-2-12-8(11)10-5-3-7(9)4-6-10;1-5-2-3-7(10)6(4-8)9-5;/h2*5-9,17,29H,4,10-14H2,1-3H3,(H,25,26);2*3-7,15,21,26H,8-12H2,1-2H3,(H,23,24);4-6,12H,3,7-10H2,1-2H3,(H2,17,18,19);2-4H,1H3,(H,10,11);7H,2-6,9H2,1H3;2-3,10H,4H2,1H3;1H.

What are the key properties of 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride?

2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride has a molecular weight of 2385.22 g/mol, XLogP of 21.85, 23 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-7-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[(4-methyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;6-methyl-2-[[4-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;6-methyl-2-[[7-methyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]pyridin-3-ol;hydrochloride is sourced from PubChem (CID 157267996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).