(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

C123H115FN18O17S2 — CID 157210410

About (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 157210410) has the molecular formula C123H115FN18O17S2 and a molecular weight of 2200.51 g/mol. Its IUPAC name is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

• Compound Name: (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
• PubChem CID: 157210410
• Molecular Formula: C123H115FN18O17S2
• Molecular Weight: 2200.51 g/mol
• Exact Mass: 2198.81
• IUPAC Name: (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
• SMILES: CCc1ccc(OCCCC(=O)c2ccccc2OCc2ccc(F)cc2)cc1.COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccccc1.COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(CCc1ccccc1)Nc1nnc(CCc2nc3ccccc3[nH]2)s1.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12
• InChI: InChI=1S/C25H25FO3.C23H24N4O4.C23H18N2O5.C20H19N5OS.C19H20N4O2.C13H9N3O2S/c1-2-19-11-15-22(16-12-19)28-17-5-7-24(27)23-6-3-4-8-25(23)29-18-20-9-13-21(26)14-10-20;1-13-19(22(28)26-24-13)21(20-14(2)25-27-23(20)29)16-9-10-17(18(11-16)30-3)31-12-15-7-5-4-6-8-15;1-28-17-10-12-18(13-11-17)29-14-21(26)24-16-8-6-15(7-9-16)22-25-20-5-3-2-4-19(20)23(27)30-22;26-18(12-10-14-6-2-1-3-7-14)23-20-25-24-19(27-20)13-11-17-21-15-8-4-5-9-16(15)22-17;1-14-7-9-15(10-8-14)20-12-18(24)25-13-17-11-21-19(23-17)22-16-5-3-2-4-6-16;17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h3-4,6,8-16H,2,5,7,17-18H2,1H3;4-11,21H,12H2,1-3H3,(H2,24,26,28)(H2,25,27,29);2-13H,14H2,1H3,(H,24,26);1-9H,10-13H2,(H,21,22)(H,23,25,26);2-11,20H,12-13H2,1H3,(H2,21,22,23);1-7,15H,(H,14,16,18)
• InChIKey: ARVDCRPGXJXEAE-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 479.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2200.51
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?

The IUPAC name of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 157210410) is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.

What is the SMILES notation for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?

The canonical SMILES for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is CCc1ccc(OCCCC(=O)c2ccccc2OCc2ccc(F)cc2)cc1.COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccccc1.COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(CCc1ccccc1)Nc1nnc(CCc2nc3ccccc3[nH]2)s1.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12.

What is the InChIKey of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?

The InChIKey is ARVDCRPGXJXEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO3.C23H24N4O4.C23H18N2O5.C20H19N5OS.C19H20N4O2.C13H9N3O2S/c1-2-19-11-15-22(16-12-19)28-17-5-7-24(27)23-6-3-4-8-25(23)29-18-20-9-13-21(26)14-10-20;1-13-19(22(28)26-24-13)21(20-14(2)25-27-23(20)29)16-9-10-17(18(11-16)30-3)31-12-15-7-5-4-6-8-15;1-28-17-10-12-18(13-11-17)29-14-21(26)24-16-8-6-15(7-9-16)22-25-20-5-3-2-4-19(20)23(27)30-22;26-18(12-10-14-6-2-1-3-7-14)23-20-25-24-19(27-20)13-11-17-21-15-8-4-5-9-16(15)22-17;1-14-7-9-15(10-8-14)20-12-18(24)25-13-17-11-21-19(23-17)22-16-5-3-2-4-6-16;17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h3-4,6,8-16H,2,5,7,17-18H2,1H3;4-11,21H,12H2,1-3H3,(H2,24,26,28)(H2,25,27,29);2-13H,14H2,1H3,(H,24,26);1-9H,10-13H2,(H,21,22)(H,23,25,26);2-11,20H,12-13H2,1H3,(H2,21,22,23);1-7,15H,(H,14,16,18).

What are the key properties of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one?

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 2200.51 g/mol, XLogP of 22.83, 40 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-[2-(1H-benzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[(4-fluorophenyl)methoxy]phenyl]butan-1-one;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide;4-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 157210410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).