5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide

C118H127Cl2F3N16O15 — CID 159685175

About 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide

5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 159685175) has the molecular formula C118H127Cl2F3N16O15 and a molecular weight of 2137.31 g/mol. Its IUPAC name is 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

• Compound Name: 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide
• PubChem CID: 159685175
• Molecular Formula: C118H127Cl2F3N16O15
• Molecular Weight: 2137.31 g/mol
• Exact Mass: 2134.90
• IUPAC Name: 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide
• SMILES: C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cc(O)c(F)c(O)c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cc(O)c(Cl)c(O)c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cc(O)c(F)c(O)c1.Cc1cc(N2CCN(c3ccccc3)CC2CCC(N)=O)cc(O)c1C.Cc1cc(N2CCN(c3ccccc3)CC2CCC(N)=O)cc(O)c1F.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cc(O)c(Cl)c(O)c1
• InChI: InChI=1S/C21H27N3O2.C20H20FN3O2.C20H24FN3O2.C19H18ClN3O3.C19H19ClN2O3.C19H19FN2O3/c1-15-12-19(13-20(25)16(15)2)24-11-10-23(17-6-4-3-5-7-17)14-18(24)8-9-21(22)26;1-13(22)7-17-16(8-14-5-3-2-4-6-14)23-12-24(17)11-15-9-18(25)20(21)19(26)10-15;1-14-11-17(12-18(25)20(14)21)24-10-9-23(15-5-3-2-4-6-15)13-16(24)7-8-19(22)26;20-19-16(24)7-13(8-17(19)25)10-23-11-22-14(15(23)9-18(21)26)6-12-4-2-1-3-5-12;2*1-12(23)7-15-19(14-5-3-2-4-6-14)21-11-22(15)10-13-8-16(24)18(20)17(25)9-13/h3-7,12-13,18,25H,8-11,14H2,1-2H3,(H2,22,26);2-6,9-10,12,25-26H,1,7-8,11,22H2;2-6,11-12,16,25H,7-10,13H2,1H3,(H2,22,26);1-5,7-8,11,24-25H,6,9-10H2,(H2,21,26);2*2-6,8-9,11-12,23-25H,7,10H2,1H3
• InChIKey: MVRSWFWNAILBHO-UHFFFAOYSA-N
• XLogP: 18.13
• TPSA: 482.29 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.31
LogP ≤ 5	18.13
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide?

The IUPAC name of 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide (CID 159685175) is 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide.

What is the SMILES notation for 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide?

The canonical SMILES for 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide is C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cc(O)c(F)c(O)c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cc(O)c(Cl)c(O)c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cc(O)c(F)c(O)c1.Cc1cc(N2CCN(c3ccccc3)CC2CCC(N)=O)cc(O)c1C.Cc1cc(N2CCN(c3ccccc3)CC2CCC(N)=O)cc(O)c1F.NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1cc(O)c(Cl)c(O)c1.

What is the InChIKey of 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide?

The InChIKey is MVRSWFWNAILBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.C20H20FN3O2.C20H24FN3O2.C19H18ClN3O3.C19H19ClN2O3.C19H19FN2O3/c1-15-12-19(13-20(25)16(15)2)24-11-10-23(17-6-4-3-5-7-17)14-18(24)8-9-21(22)26;1-13(22)7-17-16(8-14-5-3-2-4-6-14)23-12-24(17)11-15-9-18(25)20(21)19(26)10-15;1-14-11-17(12-18(25)20(14)21)24-10-9-23(15-5-3-2-4-6-15)13-16(24)7-8-19(22)26;20-19-16(24)7-13(8-17(19)25)10-23-11-22-14(15(23)9-18(21)26)6-12-4-2-1-3-5-12;2*1-12(23)7-15-19(14-5-3-2-4-6-14)21-11-22(15)10-13-8-16(24)18(20)17(25)9-13/h3-7,12-13,18,25H,8-11,14H2,1-2H3,(H2,22,26);2-6,9-10,12,25-26H,1,7-8,11,22H2;2-6,11-12,16,25H,7-10,13H2,1H3,(H2,22,26);1-5,7-8,11,24-25H,6,9-10H2,(H2,21,26);2*2-6,8-9,11-12,23-25H,7,10H2,1H3.

What are the key properties of 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide?

5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 2137.31 g/mol, XLogP of 18.13, 32 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-2-fluorobenzene-1,3-diol;2-[5-benzyl-3-[(4-chloro-3,5-dihydroxyphenyl)methyl]imidazol-4-yl]acetamide;2-chloro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(4-fluoro-3-hydroxy-5-methylphenyl)-4-phenylpiperazin-2-yl]propanamide;2-fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]benzene-1,3-diol;3-[1-(3-hydroxy-4,5-dimethylphenyl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 159685175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).