2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride

C119H157Cl3N26O13 — CID 158589815

About 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride

2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride (PubChem CID 158589815) has the molecular formula C119H157Cl3N26O13 and a molecular weight of 2266.09 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride
• PubChem CID: 158589815
• Molecular Formula: C119H157Cl3N26O13
• Molecular Weight: 2266.09 g/mol
• Exact Mass: 2263.15
• IUPAC Name: 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride
• SMILES: CCOC(=O)N1CCC(N)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cc(C)cc3[nH]2)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cc(C)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)N1CCC(Nc2nc3cc(C)cc(C)c3n2Cc2nc(C)ccc2O)CC1.Cc1cc(C)c2[nH]c(=O)[nH]c2c1.Cc1cc(C)c2nc(Cl)[nH]c2c1.Cc1cc(C)c2nc(NC3CCNCC3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cl
• InChI: InChI=1S/2C24H31N5O3.C21H27N5O.C17H24N4O2.C9H9ClN2.C9H10N2O.C8H16N2O2.C7H8ClNO.ClH/c1-5-32-24(31)28-10-8-18(9-11-28)26-23-27-22-16(3)12-15(2)13-20(22)29(23)14-19-21(30)7-6-17(4)25-19;1-5-32-24(31)28-10-8-18(9-11-28)26-23-27-19-13-15(2)12-16(3)22(19)29(23)14-20-21(30)7-6-17(4)25-20;1-13-10-14(2)20-18(11-13)26(12-17-19(27)5-4-15(3)23-17)21(25-20)24-16-6-8-22-9-7-16;1-4-23-17(22)21-7-5-13(6-8-21)18-16-19-14-10-11(2)9-12(3)15(14)20-16;1-5-3-6(2)8-7(4-5)11-9(10)12-8;1-5-3-6(2)8-7(4-5)10-9(12)11-8;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*6-7,12-13,18,30H,5,8-11,14H2,1-4H3,(H,26,27);4-5,10-11,16,22,27H,6-9,12H2,1-3H3,(H,24,25);9-10,13H,4-8H2,1-3H3,(H2,18,19,20);3-4H,1-2H3,(H,11,12);3-4H,1-2H3,(H2,10,11,12);7H,2-6,9H2,1H3;2-3,10H,4H2,1H3;1H
• InChIKey: FAFQLOOVGXPDKB-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 496.28 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.09
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

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-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride?

The IUPAC name of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride (CID 158589815) is 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride.

What is the SMILES notation for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride?

The canonical SMILES for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride is CCOC(=O)N1CCC(N)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cc(C)cc3[nH]2)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cc(C)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)N1CCC(Nc2nc3cc(C)cc(C)c3n2Cc2nc(C)ccc2O)CC1.Cc1cc(C)c2[nH]c(=O)[nH]c2c1.Cc1cc(C)c2nc(Cl)[nH]c2c1.Cc1cc(C)c2nc(NC3CCNCC3)n(Cc3nc(C)ccc3O)c2c1.Cc1ccc(O)c(CCl)n1.Cl.

What is the InChIKey of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride?

The InChIKey is FAFQLOOVGXPDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H31N5O3.C21H27N5O.C17H24N4O2.C9H9ClN2.C9H10N2O.C8H16N2O2.C7H8ClNO.ClH/c1-5-32-24(31)28-10-8-18(9-11-28)26-23-27-22-16(3)12-15(2)13-20(22)29(23)14-19-21(30)7-6-17(4)25-19;1-5-32-24(31)28-10-8-18(9-11-28)26-23-27-19-13-15(2)12-16(3)22(19)29(23)14-20-21(30)7-6-17(4)25-20;1-13-10-14(2)20-18(11-13)26(12-17-19(27)5-4-15(3)23-17)21(25-20)24-16-6-8-22-9-7-16;1-4-23-17(22)21-7-5-13(6-8-21)18-16-19-14-10-11(2)9-12(3)15(14)20-16;1-5-3-6(2)8-7(4-5)11-9(10)12-8;1-5-3-6(2)8-7(4-5)10-9(12)11-8;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*6-7,12-13,18,30H,5,8-11,14H2,1-4H3,(H,26,27);4-5,10-11,16,22,27H,6-9,12H2,1-3H3,(H,24,25);9-10,13H,4-8H2,1-3H3,(H2,18,19,20);3-4H,1-2H3,(H,11,12);3-4H,1-2H3,(H2,10,11,12);7H,2-6,9H2,1H3;2-3,10H,4H2,1H3;1H.

What are the key properties of 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride?

2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride has a molecular weight of 2266.09 g/mol, XLogP of 21.90, 19 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-dimethyl-1H-benzimidazole;2-(chloromethyl)-6-methylpyridin-3-ol;4,6-dimethyl-1,3-dihydrobenzimidazol-2-one;2-[[4,6-dimethyl-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 4-aminopiperidine-1-carboxylate;ethyl 4-[(4,6-dimethyl-1H-benzimidazol-2-yl)amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5,7-dimethylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 158589815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).