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

C160H181N31O8 — CID 159168103

About 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

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 (PubChem CID 159168103) has the molecular formula C160H181N31O8 and a molecular weight of 2666.42 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159168103
• Molecular Formula: C160H181N31O8
• Molecular Weight: 2666.42 g/mol
• Exact Mass: 2664.47
• IUPAC Name: 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
• SMILES: C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cc(O)cc(O)c1.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc(N)c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc(N)c1.CCc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.N#CNc1cccc(N2CCN(c3ccccc3)CC2CCC(N)=O)c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc(N)c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc(NC(N)=O)c1.[C-]#[N+]Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(=C)N)c1
• InChI: InChI=1S/C21H21N5.C21H24N2O.C20H25N5O2.C20H23N5O.C20H22N4.C20H21N3O2.C19H24N4O.C19H21N3O/c1-16(22)11-21-20(13-17-7-4-3-5-8-17)24-15-26(21)14-18-9-6-10-19(12-18)25-23-2;1-3-17-8-7-9-18(13-17)14-23-15-22-21(20(23)12-16(2)24)19-10-5-4-6-11-19;21-19(26)10-9-18-14-24(16-6-2-1-3-7-16)11-12-25(18)17-8-4-5-15(13-17)23-20(22)27;21-15-23-16-5-4-8-18(13-16)25-12-11-24(17-6-2-1-3-7-17)14-19(25)9-10-20(22)26;1-15(21)10-20-19(12-16-6-3-2-4-7-16)23-14-24(20)13-17-8-5-9-18(22)11-17;1-14(21)7-20-19(10-15-5-3-2-4-6-15)22-13-23(20)12-16-8-17(24)11-18(25)9-16;20-15-5-4-8-17(13-15)23-12-11-22(16-6-2-1-3-7-16)14-18(23)9-10-19(21)24;1-14(23)10-18-19(16-7-3-2-4-8-16)21-13-22(18)12-15-6-5-9-17(20)11-15/h3-10,12,15,25H,1,11,13-14,22H2;4-11,13,15-16,24H,3,12,14H2,1-2H3;1-8,13,18H,9-12,14H2,(H2,21,26)(H3,22,23,27);1-8,13,19,23H,9-12,14H2,(H2,22,26);2-9,11,14H,1,10,12-13,21-22H2;2-6,8-9,11,13,24-25H,1,7,10,12,21H2;1-8,13,18H,9-12,14,20H2,(H2,21,24);2-9,11,13-14,23H,10,12,20H2,1H3
• InChIKey: KLIGHZOVCLSUQQ-UHFFFAOYSA-N
• XLogP: 23.95
• TPSA: 582.18 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.42
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cc(O)cc(O)c1.C=C(N)Cc1c(Cc2ccccc2)ncn1Cc1cccc(N)c1.CC(O)Cc1c(-c2ccccc2)ncn1Cc1cccc(N)c1.CCc1cccc(Cn2cnc(-c3ccccc3)c2CC(C)O)c1.N#CNc1cccc(N2CCN(c3ccccc3)CC2CCC(N)=O)c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc(N)c1.NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc(NC(N)=O)c1.[C-]#[N+]Nc1cccc(Cn2cnc(Cc3ccccc3)c2CC(=C)N)c1.

What is the InChIKey of 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?

The InChIKey is KLIGHZOVCLSUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.C21H24N2O.C20H25N5O2.C20H23N5O.C20H22N4.C20H21N3O2.C19H24N4O.C19H21N3O/c1-16(22)11-21-20(13-17-7-4-3-5-8-17)24-15-26(21)14-18-9-6-10-19(12-18)25-23-2;1-3-17-8-7-9-18(13-17)14-23-15-22-21(20(23)12-16(2)24)19-10-5-4-6-11-19;21-19(26)10-9-18-14-24(16-6-2-1-3-7-16)11-12-25(18)17-8-4-5-15(13-17)23-20(22)27;21-15-23-16-5-4-8-18(13-16)25-12-11-24(17-6-2-1-3-7-17)14-19(25)9-10-20(22)26;1-15(21)10-20-19(12-16-6-3-2-4-7-16)23-14-24(20)13-17-8-5-9-18(22)11-17;1-14(21)7-20-19(10-15-5-3-2-4-6-15)22-13-23(20)12-16-8-17(24)11-18(25)9-16;20-15-5-4-8-17(13-15)23-12-11-22(16-6-2-1-3-7-16)14-18(23)9-10-19(21)24;1-14(23)10-18-19(16-7-3-2-4-8-16)21-13-22(18)12-15-6-5-9-17(20)11-15/h3-10,12,15,25H,1,11,13-14,22H2;4-11,13,15-16,24H,3,12,14H2,1-2H3;1-8,13,18H,9-12,14H2,(H2,21,26)(H3,22,23,27);1-8,13,19,23H,9-12,14H2,(H2,22,26);2-9,11,14H,1,10,12-13,21-22H2;2-6,8-9,11,13,24-25H,1,7,10,12,21H2;1-8,13,18H,9-12,14,20H2,(H2,21,24);2-9,11,13-14,23H,10,12,20H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 2666.42 g/mol, XLogP of 23.95, 47 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159168103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).