bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid

C106H114Cl4F8N20O17 — CID 167610260

About bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid

bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid (PubChem CID 167610260) has the molecular formula C106H114Cl4F8N20O17 and a molecular weight of 2234.00 g/mol. Its IUPAC name is bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid.

Molecular Properties

• Compound Name: bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid
• PubChem CID: 167610260
• Molecular Formula: C106H114Cl4F8N20O17
• Molecular Weight: 2234.00 g/mol
• Exact Mass: 2230.73
• IUPAC Name: bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid
• SMILES: CC(C)(C)OC(=O)NC1CCNCC1.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(N)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(N)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(NC(=O)OC(C)(C)C)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)n2C)c(F)c1F
• InChI: InChI=1S/C29H32ClF2N5O5.2C24H24ClF2N5O3.C19H14ClF2N3O4.C10H20N2O2/c1-29(2,3)42-28(40)35-16-10-12-37(13-11-16)27(39)18-7-6-17(14-20(18)30)34-26(38)25-33-15-21(36(25)4)19-8-9-22(41-5)24(32)23(19)31;2*1-31-18(16-5-6-19(35-2)21(27)20(16)26)12-29-22(31)23(33)30-14-3-4-15(17(25)11-14)24(34)32-9-7-13(28)8-10-32;1-25-13(11-5-6-14(29-2)16(22)15(11)21)8-23-17(25)18(26)24-9-3-4-10(19(27)28)12(20)7-9;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h6-9,14-16H,10-13H2,1-5H3,(H,34,38)(H,35,40);2*3-6,11-13H,7-10,28H2,1-2H3,(H,30,33);3-8H,1-2H3,(H,24,26)(H,27,28);8,11H,4-7H2,1-3H3,(H,12,13)
• InChIKey: KYDOILZXHQXWFE-UHFFFAOYSA-N
• XLogP: 18.34
• TPSA: 463.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.00
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid?

The IUPAC name of bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid (CID 167610260) is bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid.

What is the SMILES notation for bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid?

The canonical SMILES for bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid is CC(C)(C)OC(=O)NC1CCNCC1.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(N)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(N)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)N4CCC(NC(=O)OC(C)(C)C)CC4)c(Cl)c3)n2C)c(F)c1F.COc1ccc(-c2cnc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)n2C)c(F)c1F.

What is the InChIKey of bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid?

The InChIKey is KYDOILZXHQXWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClF2N5O5.2C24H24ClF2N5O3.C19H14ClF2N3O4.C10H20N2O2/c1-29(2,3)42-28(40)35-16-10-12-37(13-11-16)27(39)18-7-6-17(14-20(18)30)34-26(38)25-33-15-21(36(25)4)19-8-9-22(41-5)24(32)23(19)31;2*1-31-18(16-5-6-19(35-2)21(27)20(16)26)12-29-22(31)23(33)30-14-3-4-15(17(25)11-14)24(34)32-9-7-13(28)8-10-32;1-25-13(11-5-6-14(29-2)16(22)15(11)21)8-23-17(25)18(26)24-9-3-4-10(19(27)28)12(20)7-9;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h6-9,14-16H,10-13H2,1-5H3,(H,34,38)(H,35,40);2*3-6,11-13H,7-10,28H2,1-2H3,(H,30,33);3-8H,1-2H3,(H,24,26)(H,27,28);8,11H,4-7H2,1-3H3,(H,12,13).

What are the key properties of bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid?

bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid has a molecular weight of 2234.00 g/mol, XLogP of 18.34, 22 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[4-(4-aminopiperidine-1-carbonyl)-3-chlorophenyl]-5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carboxamide);tert-butyl N-[1-[2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-chloro-4-[[5-(2,3-difluoro-4-methoxyphenyl)-1-methylimidazole-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 167610260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).