3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol

C156H169F7N22O16S — CID 160995910

IUPAC3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol
SMILESC=C(N)Cc1c(Cc2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2cccc(OC)c2)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2ccsc2)ncn1Cc1cccc(O)c1.CC(O)Cc1c(-c2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1.COc1cccc(-c2ncn(Cc3cccc(O)c3)c2CC(C)O)c1.COc1cccc(N2CCN(c3cccc(O)c3)C(CCC(N)=O)C2)c1.NC(=O)CCC1CN(c2cc(F)cc(F)c2)CCN1c1cccc(O)c1.NC(=O)CCC1CN(c2cccc(F)c2)CCN1c1cccc(O)c1
InChIInChI=1S/C21H23N3O2.C20H19F2N3O.C20H25N3O3.C20H22N2O3.C19H21F2N3O2.C19H18F2N2O2.C19H22FN3O2.C18H19N3OS/c1-15(22)9-21-20(12-16-5-4-8-19(11-16)26-2)23-14-24(21)13-17-6-3-7-18(25)10-17;1-13(23)5-20-19(9-15-6-16(21)10-17(22)7-15)24-12-25(20)11-14-3-2-4-18(26)8-14;1-26-19-7-3-4-15(13-19)22-10-11-23(16-5-2-6-18(24)12-16)17(14-22)8-9-20(21)25;1-14(23)9-19-20(16-6-4-8-18(11-16)25-2)21-13-22(19)12-15-5-3-7-17(24)10-15;20-13-8-14(21)10-17(9-13)23-6-7-24(15-2-1-3-18(25)11-15)16(12-23)4-5-19(22)26;1-12(24)5-18-19(14-7-15(20)9-16(21)8-14)22-11-23(18)10-13-3-2-4-17(25)6-13;20-14-3-1-4-15(11-14)22-9-10-23(16-5-2-6-18(24)12-16)17(13-22)7-8-19(21)25;1-13(19)7-18-17(9-15-5-6-23-11-15)20-12-21(18)10-14-3-2-4-16(22)8-14/h3-8,10-11,14,25H,1,9,12-13,22H2,2H3;2-4,6-8,10,12,26H,1,5,9,11,23H2;2-7,12-13,17,24H,8-11,14H2,1H3,(H2,21,25);3-8,10-11,13-14,23-24H,9,12H2,1-2H3;1-3,8-11,16,25H,4-7,12H2,(H2,22,26);2-4,6-9,11-12,24-25H,5,10H2,1H3;1-6,11-12,17,24H,7-10,13H2,(H2,21,25);2-6,8,11-12,22H,1,7,9-10,19H2
InChIKeyTVFXTBFDDPGJTK-UHFFFAOYSA-N
MW2773.26 g/mol
LogP24.30
Rot. Bonds46

About 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol

3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol (PubChem CID 160995910) has the molecular formula C156H169F7N22O16S and a molecular weight of 2773.26 g/mol. Its IUPAC name is 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol
PubChem CID160995910
Molecular FormulaC156H169F7N22O16S
Molecular Weight2773.26 g/mol
Exact Mass2771.27
IUPAC Name3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol
SMILESC=C(N)Cc1c(Cc2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2cccc(OC)c2)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2ccsc2)ncn1Cc1cccc(O)c1.CC(O)Cc1c(-c2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1.COc1cccc(-c2ncn(Cc3cccc(O)c3)c2CC(C)O)c1.COc1cccc(N2CCN(c3cccc(O)c3)C(CCC(N)=O)C2)c1.NC(=O)CCC1CN(c2cc(F)cc(F)c2)CCN1c1cccc(O)c1.NC(=O)CCC1CN(c2cccc(F)c2)CCN1c1cccc(O)c1
InChIInChI=1S/C21H23N3O2.C20H19F2N3O.C20H25N3O3.C20H22N2O3.C19H21F2N3O2.C19H18F2N2O2.C19H22FN3O2.C18H19N3OS/c1-15(22)9-21-20(12-16-5-4-8-19(11-16)26-2)23-14-24(21)13-17-6-3-7-18(25)10-17;1-13(23)5-20-19(9-15-6-16(21)10-17(22)7-15)24-12-25(20)11-14-3-2-4-18(26)8-14;1-26-19-7-3-4-15(13-19)22-10-11-23(16-5-2-6-18(24)12-16)17(14-22)8-9-20(21)25;1-14(23)9-19-20(16-6-4-8-18(11-16)25-2)21-13-22(19)12-15-5-3-7-17(24)10-15;20-13-8-14(21)10-17(9-13)23-6-7-24(15-2-1-3-18(25)11-15)16(12-23)4-5-19(22)26;1-12(24)5-18-19(14-7-15(20)9-16(21)8-14)22-11-23(18)10-13-3-2-4-17(25)6-13;20-14-3-1-4-15(11-14)22-9-10-23(16-5-2-6-18(24)12-16)17(13-22)7-8-19(21)25;1-13(19)7-18-17(9-15-5-6-23-11-15)20-12-21(18)10-14-3-2-4-16(22)8-14/h3-8,10-11,14,25H,1,9,12-13,22H2,2H3;2-4,6-8,10,12,26H,1,5,9,11,23H2;2-7,12-13,17,24H,8-11,14H2,1H3,(H2,21,25);3-8,10-11,13-14,23-24H,9,12H2,1-2H3;1-3,8-11,16,25H,4-7,12H2,(H2,22,26);2-4,6-9,11-12,24-25H,5,10H2,1H3;1-6,11-12,17,24H,7-10,13H2,(H2,21,25);2-6,8,11-12,22H,1,7,9-10,19H2
InChIKeyTVFXTBFDDPGJTK-UHFFFAOYSA-N
XLogP24.30
TPSA545.86 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds46
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002773.26
LogP ≤ 524.30
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Analyze 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol with MolForge

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Related Compounds

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
3-[1-[3-hydroxy-5-[3-[5-(2-hydroxypropyl)-1-(1H-indol-4-ylmethyl)imidazol-4-yl]phenoxy]phenyl]-4-phenylpiperazin-2-yl]propanamide
CID 155051512
1-[3-[(3-aminophenyl)methyl]-5-phenylimidazol-4-yl]propan-2-ol;3-[1-(3-aminophenyl)-4-phenylpiperazin-2-yl]propanamide;3-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]aniline;5-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]benzene-1,3-diol;3-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-N-isocyanoaniline;3-[1-[3-(carbamoylamino)phenyl]-4-phenylpiperazin-2-yl]propanamide;3-[1-[3-(cyanoamino)phenyl]-4-phenylpiperazin-2-yl]propanamide;1-[3-[(3-ethylphenyl)methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 159168103
3-[4-[3-(2-aminooxyethyl)-4-[3-[3-[[5-(aminooxymethyl)-1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]phenoxy]phenyl]piperazin-1-yl]phenyl]-5-[[5-(2-aminooxyethyl)-4-phenylimidazol-1-yl]methyl]phenol
CID 166735972
3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]acetamide;3-[4-(3,5-dimethyl-2H-pyrrol-4-yl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]acetamide;3-[1-(3-hydroxyphenyl)-4-(2-methylpyrazol-3-yl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
CID 158917751
2-[2-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]ethoxy]isoindole-1,3-dione;3-(2-ethyl-4-phenylpiperazin-1-yl)phenol;2-[2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]ethoxy]isoindole-1,3-dione;2-[2-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]ethoxy]isoindole-1,3-dione
CID 159983841
2-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methoxy]isoindole-1,3-dione;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methoxy]isoindole-1,3-dione
CID 160618502
4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione
CID 157258811
1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157184738
3-[[5-(2-hydroxypropyl)-4-(2-methylpyrazol-3-yl)imidazol-1-yl]methyl]phenol
CID 134376608
3-[[5-(2-hydroxypropyl)-4-(1-methyl-3H-pyrazol-1-ium-5-yl)imidazol-1-yl]methyl]phenol
CID 153412254
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol (CID 160995910) is 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol is C=C(N)Cc1c(Cc2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2cccc(OC)c2)ncn1Cc1cccc(O)c1.C=C(N)Cc1c(Cc2ccsc2)ncn1Cc1cccc(O)c1.CC(O)Cc1c(-c2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1.COc1cccc(-c2ncn(Cc3cccc(O)c3)c2CC(C)O)c1.COc1cccc(N2CCN(c3cccc(O)c3)C(CCC(N)=O)C2)c1.NC(=O)CCC1CN(c2cc(F)cc(F)c2)CCN1c1cccc(O)c1.NC(=O)CCC1CN(c2cccc(F)c2)CCN1c1cccc(O)c1.
What is the InChIKey of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol?
The InChIKey is TVFXTBFDDPGJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C20H19F2N3O.C20H25N3O3.C20H22N2O3.C19H21F2N3O2.C19H18F2N2O2.C19H22FN3O2.C18H19N3OS/c1-15(22)9-21-20(12-16-5-4-8-19(11-16)26-2)23-14-24(21)13-17-6-3-7-18(25)10-17;1-13(23)5-20-19(9-15-6-16(21)10-17(22)7-15)24-12-25(20)11-14-3-2-4-18(26)8-14;1-26-19-7-3-4-15(13-19)22-10-11-23(16-5-2-6-18(24)12-16)17(14-22)8-9-20(21)25;1-14(23)9-19-20(16-6-4-8-18(11-16)25-2)21-13-22(19)12-15-5-3-7-17(24)10-15;20-13-8-14(21)10-17(9-13)23-6-7-24(15-2-1-3-18(25)11-15)16(12-23)4-5-19(22)26;1-12(24)5-18-19(14-7-15(20)9-16(21)8-14)22-11-23(18)10-13-3-2-4-17(25)6-13;20-14-3-1-4-15(11-14)22-9-10-23(16-5-2-6-18(24)12-16)17(13-22)7-8-19(21)25;1-13(19)7-18-17(9-15-5-6-23-11-15)20-12-21(18)10-14-3-2-4-16(22)8-14/h3-8,10-11,14,25H,1,9,12-13,22H2,2H3;2-4,6-8,10,12,26H,1,5,9,11,23H2;2-7,12-13,17,24H,8-11,14H2,1H3,(H2,21,25);3-8,10-11,13-14,23-24H,9,12H2,1-2H3;1-3,8-11,16,25H,4-7,12H2,(H2,22,26);2-4,6-9,11-12,24-25H,5,10H2,1H3;1-6,11-12,17,24H,7-10,13H2,(H2,21,25);2-6,8,11-12,22H,1,7,9-10,19H2.
What are the key properties of 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol?
3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol has a molecular weight of 2773.26 g/mol, XLogP of 24.30, 46 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-aminoprop-2-enyl)-4-[(3,5-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-[(3-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenol;3-[[5-(2-aminoprop-2-enyl)-4-(thiophen-3-ylmethyl)imidazol-1-yl]methyl]phenol;3-[4-(3,5-difluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol;3-[4-(3-fluorophenyl)-1-(3-hydroxyphenyl)piperazin-2-yl]propanamide;3-[1-(3-hydroxyphenyl)-4-(3-methoxyphenyl)piperazin-2-yl]propanamide;3-[[5-(2-hydroxypropyl)-4-(3-methoxyphenyl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 160995910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).