N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate

C94H94Br2Cl5N23O14 — CID 158734091

About N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate

N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 158734091) has the molecular formula C94H94Br2Cl5N23O14 and a molecular weight of 2107.01 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

• Compound Name: N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate
• PubChem CID: 158734091
• Molecular Formula: C94H94Br2Cl5N23O14
• Molecular Weight: 2107.01 g/mol
• Exact Mass: 2101.42
• IUPAC Name: N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate
• SMILES: CCNC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)Nc3ccc(Cl)cc3N)nc12.CCNC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)O)nc12.CCNC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(Cc3nc4ccc(Cl)cc4[nH]3)nc12.CCNC(=O)Nc1ccc(Br)n2cc(CC(=O)OCC)nc12.CCOC(=O)Cc1cn2c(Br)ccc(N)c2n1
• InChI: InChI=1S/C25H24Cl2N6O3.C25H22Cl2N6O2.C19H19ClN4O4.C14H17BrN4O3.C11H12BrN3O2/c1-3-29-25(35)32-21-8-9-22(17-6-5-16(36-2)12-18(17)27)33-13-15(30-24(21)33)11-23(34)31-20-7-4-14(26)10-19(20)28;1-3-28-25(34)32-20-8-9-22(17-6-5-16(35-2)12-18(17)27)33-13-15(29-24(20)33)11-23-30-19-7-4-14(26)10-21(19)31-23;1-3-21-19(27)23-15-6-7-16(13-5-4-12(28-2)9-14(13)20)24-10-11(8-17(25)26)22-18(15)24;1-3-16-14(21)18-10-5-6-11(15)19-8-9(17-13(10)19)7-12(20)22-4-2;1-2-17-10(16)5-7-6-15-9(12)4-3-8(13)11(15)14-7/h4-10,12-13H,3,11,28H2,1-2H3,(H,31,34)(H2,29,32,35);4-10,12-13H,3,11H2,1-2H3,(H,30,31)(H2,28,32,34);4-7,9-10H,3,8H2,1-2H3,(H,25,26)(H2,21,23,27);5-6,8H,3-4,7H2,1-2H3,(H2,16,18,21);3-4,6H,2,5,13H2,1H3
• InChIKey: ILLLHJCUKIOESD-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 478.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.01
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate?

The IUPAC name of N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate (CID 158734091) is N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate.

What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate?

The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate is CCNC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)Nc3ccc(Cl)cc3N)nc12.CCNC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(CC(=O)O)nc12.CCNC(=O)Nc1ccc(-c2ccc(OC)cc2Cl)n2cc(Cc3nc4ccc(Cl)cc4[nH]3)nc12.CCNC(=O)Nc1ccc(Br)n2cc(CC(=O)OCC)nc12.CCOC(=O)Cc1cn2c(Br)ccc(N)c2n1.

What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate?

The InChIKey is ILLLHJCUKIOESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O3.C25H22Cl2N6O2.C19H19ClN4O4.C14H17BrN4O3.C11H12BrN3O2/c1-3-29-25(35)32-21-8-9-22(17-6-5-16(36-2)12-18(17)27)33-13-15(30-24(21)33)11-23(34)31-20-7-4-14(26)10-19(20)28;1-3-28-25(34)32-20-8-9-22(17-6-5-16(35-2)12-18(17)27)33-13-15(29-24(20)33)11-23-30-19-7-4-14(26)10-21(19)31-23;1-3-21-19(27)23-15-6-7-16(13-5-4-12(28-2)9-14(13)20)24-10-11(8-17(25)26)22-18(15)24;1-3-16-14(21)18-10-5-6-11(15)19-8-9(17-13(10)19)7-12(20)22-4-2;1-2-17-10(16)5-7-6-15-9(12)4-3-8(13)11(15)14-7/h4-10,12-13H,3,11,28H2,1-2H3,(H,31,34)(H2,29,32,35);4-10,12-13H,3,11H2,1-2H3,(H,30,31)(H2,28,32,34);4-7,9-10H,3,8H2,1-2H3,(H,25,26)(H2,21,23,27);5-6,8H,3-4,7H2,1-2H3,(H2,16,18,21);3-4,6H,2,5,13H2,1H3.

What are the key properties of N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate?

N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 2107.01 g/mol, XLogP of 18.71, 27 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-4-chlorophenyl)-2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3-ethylurea;2-[5-(2-chloro-4-methoxyphenyl)-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid;ethyl 2-(8-amino-5-bromoimidazo[1,2-a]pyridin-2-yl)acetate;ethyl 2-[5-bromo-8-(ethylcarbamoylamino)imidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 158734091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).