3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid

C115H112N16O16S — CID 158802230

IUPAC3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid
SMILESCC(C)(C)Oc1ccc(C(CC(=O)O)n2ccnc2)cc1.Cc1ccc(C(CC(=O)O)n2ccnc2)cc1.O=C(O)CC(c1ccc(-c2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Nc2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Oc2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1cccs1)n1ccnc1
InChIInChI=1S/C22H19N3O2.C18H17N3O2.C18H16N2O3.C18H16N2O2.C16H20N2O3.C13H14N2O2.C10H10N2O2S/c26-22(27)14-21(25-12-11-23-15-25)17-6-8-19(9-7-17)24-20-10-5-16-3-1-2-4-18(16)13-20;22-18(23)12-17(21-11-10-19-13-21)14-6-8-16(9-7-14)20-15-4-2-1-3-5-15;21-18(22)12-17(20-11-10-19-13-20)14-6-8-16(9-7-14)23-15-4-2-1-3-5-15;21-18(22)12-17(20-11-10-19-13-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-16(2,3)21-13-6-4-12(5-7-13)14(10-15(19)20)18-9-8-17-11-18;1-10-2-4-11(5-3-10)12(8-13(16)17)15-7-6-14-9-15;13-10(14)6-8(9-2-1-5-15-9)12-4-3-11-7-12/h1-13,15,21,24H,14H2,(H,26,27);1-11,13,17,20H,12H2,(H,22,23);1-11,13,17H,12H2,(H,21,22);1-11,13,17H,12H2,(H,21,22);4-9,11,14H,10H2,1-3H3,(H,19,20);2-7,9,12H,8H2,1H3,(H,16,17);1-5,7-8H,6H2,(H,13,14)
InChIKeyITQAPNMPEWJYBO-UHFFFAOYSA-N
MW2006.32 g/mol
LogP23.28
Rot. Bonds36

About 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid

3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid (PubChem CID 158802230) has the molecular formula C115H112N16O16S and a molecular weight of 2006.32 g/mol. Its IUPAC name is 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid
PubChem CID158802230
Molecular FormulaC115H112N16O16S
Molecular Weight2006.32 g/mol
Exact Mass2004.82
IUPAC Name3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid
SMILESCC(C)(C)Oc1ccc(C(CC(=O)O)n2ccnc2)cc1.Cc1ccc(C(CC(=O)O)n2ccnc2)cc1.O=C(O)CC(c1ccc(-c2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Nc2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Oc2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1cccs1)n1ccnc1
InChIInChI=1S/C22H19N3O2.C18H17N3O2.C18H16N2O3.C18H16N2O2.C16H20N2O3.C13H14N2O2.C10H10N2O2S/c26-22(27)14-21(25-12-11-23-15-25)17-6-8-19(9-7-17)24-20-10-5-16-3-1-2-4-18(16)13-20;22-18(23)12-17(21-11-10-19-13-21)14-6-8-16(9-7-14)20-15-4-2-1-3-5-15;21-18(22)12-17(20-11-10-19-13-20)14-6-8-16(9-7-14)23-15-4-2-1-3-5-15;21-18(22)12-17(20-11-10-19-13-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-16(2,3)21-13-6-4-12(5-7-13)14(10-15(19)20)18-9-8-17-11-18;1-10-2-4-11(5-3-10)12(8-13(16)17)15-7-6-14-9-15;13-10(14)6-8(9-2-1-5-15-9)12-4-3-11-7-12/h1-13,15,21,24H,14H2,(H,26,27);1-11,13,17,20H,12H2,(H,22,23);1-11,13,17H,12H2,(H,21,22);1-11,13,17H,12H2,(H,21,22);4-9,11,14H,10H2,1-3H3,(H,19,20);2-7,9,12H,8H2,1H3,(H,16,17);1-5,7-8H,6H2,(H,13,14)
InChIKeyITQAPNMPEWJYBO-UHFFFAOYSA-N
XLogP23.28
TPSA428.36 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002006.32
LogP ≤ 523.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid (CID 158802230) is 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid is CC(C)(C)Oc1ccc(C(CC(=O)O)n2ccnc2)cc1.Cc1ccc(C(CC(=O)O)n2ccnc2)cc1.O=C(O)CC(c1ccc(-c2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Nc2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1ccc(Oc2ccccc2)cc1)n1ccnc1.O=C(O)CC(c1cccs1)n1ccnc1.
What is the InChIKey of 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid?
The InChIKey is ITQAPNMPEWJYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.C18H17N3O2.C18H16N2O3.C18H16N2O2.C16H20N2O3.C13H14N2O2.C10H10N2O2S/c26-22(27)14-21(25-12-11-23-15-25)17-6-8-19(9-7-17)24-20-10-5-16-3-1-2-4-18(16)13-20;22-18(23)12-17(21-11-10-19-13-21)14-6-8-16(9-7-14)20-15-4-2-1-3-5-15;21-18(22)12-17(20-11-10-19-13-20)14-6-8-16(9-7-14)23-15-4-2-1-3-5-15;21-18(22)12-17(20-11-10-19-13-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-16(2,3)21-13-6-4-12(5-7-13)14(10-15(19)20)18-9-8-17-11-18;1-10-2-4-11(5-3-10)12(8-13(16)17)15-7-6-14-9-15;13-10(14)6-8(9-2-1-5-15-9)12-4-3-11-7-12/h1-13,15,21,24H,14H2,(H,26,27);1-11,13,17,20H,12H2,(H,22,23);1-11,13,17H,12H2,(H,21,22);1-11,13,17H,12H2,(H,21,22);4-9,11,14H,10H2,1-3H3,(H,19,20);2-7,9,12H,8H2,1H3,(H,16,17);1-5,7-8H,6H2,(H,13,14).
What are the key properties of 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid?
3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid has a molecular weight of 2006.32 g/mol, XLogP of 23.28, 36 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinophenyl)-3-imidazol-1-ylpropanoic acid;3-imidazol-1-yl-3-(4-methylphenyl)propanoic acid;3-imidazol-1-yl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;3-imidazol-1-yl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid;3-imidazol-1-yl-3-(4-phenoxyphenyl)propanoic acid;3-imidazol-1-yl-3-(4-phenylphenyl)propanoic acid;3-imidazol-1-yl-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 158802230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).