(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate

C136H134FN15O16S2 — CID 161167786

About (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate (PubChem CID 161167786) has the molecular formula C136H134FN15O16S2 and a molecular weight of 2317.79 g/mol. Its IUPAC name is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate.

Molecular Properties

• Compound Name: (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate
• PubChem CID: 161167786
• Molecular Formula: C136H134FN15O16S2
• Molecular Weight: 2317.79 g/mol
• Exact Mass: 2315.96
• IUPAC Name: (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate
• SMILES: CCc1ccc(OCCCC(=O)c2ccccc2CCc2ccc(F)cc2)cc1.COc1cc(C(c2c(C)[nH][nH]c2=O)C2C(C)=NNC2O)ccc1OCc1ccccc1.COc1ccc(OCC(=O)Nc2ccc(C3=Nc4ccccc4C(=O)C3)cc2)cc1.Cc1ccc(C(=O)C(C)OC(=O)c2c3c(cc4ccccc24)CCCC3)cc1.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(CCc1ccccc1)Nc1nnc(SCc2nc3ccccc3[nH]2)s1
• InChI: InChI=1S/C26H27FO2.C25H24O3.C24H20N2O4.C23H26N4O4.C19H17N5OS2.C19H20N4O2/c1-2-20-12-17-24(18-13-20)29-19-5-8-26(28)25-7-4-3-6-22(25)14-9-21-10-15-23(27)16-11-21;1-16-11-13-18(14-12-16)24(26)17(2)28-25(27)23-21-9-5-3-7-19(21)15-20-8-4-6-10-22(20)23;1-29-18-10-12-19(13-11-18)30-15-24(28)25-17-8-6-16(7-9-17)22-14-23(27)20-4-2-3-5-21(20)26-22;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;25-17(11-10-13-6-2-1-3-7-13)22-18-23-24-19(27-18)26-12-16-20-14-8-4-5-9-15(14)21-16;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/h3-4,6-7,10-13,15-18H,2,5,8-9,14,19H2,1H3;3,5,7,9,11-15,17H,4,6,8,10H2,1-2H3;2-13H,14-15H2,1H3,(H,25,28);4-11,19,21-22,26,28H,12H2,1-3H3,(H2,25,27,29);1-9H,10-12H2,(H,20,21)(H,22,23,25);2-11,20H,12-13H2,1H3,(H2,21,22,23)
• InChIKey: UQTXVQLCYCRIGV-UHFFFAOYSA-N
• XLogP: 26.63
• TPSA: 420.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 41
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.79
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', '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-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate?

The IUPAC name of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate (CID 161167786) is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate.

What is the SMILES notation for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate?

The canonical SMILES for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate is CCc1ccc(OCCCC(=O)c2ccccc2CCc2ccc(F)cc2)cc1.COc1cc(C(c2c(C)[nH][nH]c2=O)C2C(C)=NNC2O)ccc1OCc1ccccc1.COc1ccc(OCC(=O)Nc2ccc(C3=Nc4ccccc4C(=O)C3)cc2)cc1.Cc1ccc(C(=O)C(C)OC(=O)c2c3c(cc4ccccc24)CCCC3)cc1.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(CCc1ccccc1)Nc1nnc(SCc2nc3ccccc3[nH]2)s1.

What is the InChIKey of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate?

The InChIKey is UQTXVQLCYCRIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FO2.C25H24O3.C24H20N2O4.C23H26N4O4.C19H17N5OS2.C19H20N4O2/c1-2-20-12-17-24(18-13-20)29-19-5-8-26(28)25-7-4-3-6-22(25)14-9-21-10-15-23(27)16-11-21;1-16-11-13-18(14-12-16)24(26)17(2)28-25(27)23-21-9-5-3-7-19(21)15-20-8-4-6-10-22(20)23;1-29-18-10-12-19(13-11-18)30-15-24(28)25-17-8-6-16(7-9-17)22-14-23(27)20-4-2-3-5-21(20)26-22;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;25-17(11-10-13-6-2-1-3-7-13)22-18-23-24-19(27-18)26-12-16-20-14-8-4-5-9-15(14)21-16;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/h3-4,6-7,10-13,15-18H,2,5,8-9,14,19H2,1H3;3,5,7,9,11-15,17H,4,6,8,10H2,1-2H3;2-13H,14-15H2,1H3,(H,25,28);4-11,19,21-22,26,28H,12H2,1-3H3,(H2,25,27,29);1-9H,10-12H2,(H,20,21)(H,22,23,25);2-11,20H,12-13H2,1H3,(H2,21,22,23).

What are the key properties of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate?

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate has a molecular weight of 2317.79 g/mol, XLogP of 26.63, 41 rotatable bonds, 10 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-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide;4-(4-ethylphenoxy)-1-[2-[2-(4-fluorophenyl)ethyl]phenyl]butan-1-one;4-[(5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-4-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;2-(4-methoxyphenoxy)-N-[4-(4-oxo-3H-quinolin-2-yl)phenyl]acetamide;[1-(4-methylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroanthracene-9-carboxylate is sourced from PubChem (CID 161167786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).