1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone

C136H119Cl7N20O7S — CID 158486577

IUPAC1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone
SMILESCN(C)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.CN(C)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.Cc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cn1.Cc1ncccc1C(=O)Cc1cn(Cc2cccc(Cl)c2)cn1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(c1)C=CC2.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(c1)N=CC2.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2scnc2c1
InChIInChI=1S/C21H17ClN2O.C20H16ClN3O.2C20H20ClN3O.C19H14ClN3OS.2C18H16ClN3O/c22-19-6-1-3-15(9-19)12-24-13-20(23-14-24)11-21(25)18-8-7-16-4-2-5-17(16)10-18;21-17-3-1-2-14(8-17)11-24-12-18(23-13-24)10-20(25)16-5-4-15-6-7-22-19(15)9-16;1-23(2)19-8-4-6-16(10-19)20(25)11-18-13-24(14-22-18)12-15-5-3-7-17(21)9-15;1-23(2)19-8-6-16(7-9-19)20(25)11-18-13-24(14-22-18)12-15-4-3-5-17(21)10-15;20-15-3-1-2-13(6-15)9-23-10-16(21-11-23)8-18(24)14-4-5-19-17(7-14)22-12-25-19;1-13-17(6-3-7-20-13)18(23)9-16-11-22(12-21-16)10-14-4-2-5-15(19)8-14;1-13-5-6-15(9-20-13)18(23)8-17-11-22(12-21-17)10-14-3-2-4-16(19)7-14/h1-3,5-10,13-14H,4,11-12H2;1-5,7-9,12-13H,6,10-11H2;2*3-10,13-14H,11-12H2,1-2H3;1-7,10-12H,8-9H2;2-8,11-12H,9-10H2,1H3;2-7,9,11-12H,8,10H2,1H3
InChIKeyHIECYJOKQGWTMO-UHFFFAOYSA-N
MW2425.82 g/mol
LogP29.05
Rot. Bonds37

About 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone

1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 158486577) has the molecular formula C136H119Cl7N20O7S and a molecular weight of 2425.82 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID158486577
Molecular FormulaC136H119Cl7N20O7S
Molecular Weight2425.82 g/mol
Exact Mass2420.71
IUPAC Name1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone
SMILESCN(C)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.CN(C)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.Cc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cn1.Cc1ncccc1C(=O)Cc1cn(Cc2cccc(Cl)c2)cn1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(c1)C=CC2.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(c1)N=CC2.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2scnc2c1
InChIInChI=1S/C21H17ClN2O.C20H16ClN3O.2C20H20ClN3O.C19H14ClN3OS.2C18H16ClN3O/c22-19-6-1-3-15(9-19)12-24-13-20(23-14-24)11-21(25)18-8-7-16-4-2-5-17(16)10-18;21-17-3-1-2-14(8-17)11-24-12-18(23-13-24)10-20(25)16-5-4-15-6-7-22-19(15)9-16;1-23(2)19-8-4-6-16(10-19)20(25)11-18-13-24(14-22-18)12-15-5-3-7-17(21)9-15;1-23(2)19-8-6-16(7-9-19)20(25)11-18-13-24(14-22-18)12-15-4-3-5-17(21)10-15;20-15-3-1-2-13(6-15)9-23-10-16(21-11-23)8-18(24)14-4-5-19-17(7-14)22-12-25-19;1-13-17(6-3-7-20-13)18(23)9-16-11-22(12-21-16)10-14-4-2-5-15(19)8-14;1-13-5-6-15(9-20-13)18(23)8-17-11-22(12-21-17)10-14-3-2-4-16(19)7-14/h1-3,5-10,13-14H,4,11-12H2;1-5,7-9,12-13H,6,10-11H2;2*3-10,13-14H,11-12H2,1-2H3;1-7,10-12H,8-9H2;2-8,11-12H,9-10H2,1H3;2-7,9,11-12H,8,10H2,1H3
InChIKeyHIECYJOKQGWTMO-UHFFFAOYSA-N
XLogP29.05
TPSA301.74 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002425.82
LogP ≤ 529.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone (CID 158486577) is 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone is CN(C)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.CN(C)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.Cc1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cn1.Cc1ncccc1C(=O)Cc1cn(Cc2cccc(Cl)c2)cn1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(c1)C=CC2.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2c(c1)N=CC2.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccc2scnc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is HIECYJOKQGWTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O.C20H16ClN3O.2C20H20ClN3O.C19H14ClN3OS.2C18H16ClN3O/c22-19-6-1-3-15(9-19)12-24-13-20(23-14-24)11-21(25)18-8-7-16-4-2-5-17(16)10-18;21-17-3-1-2-14(8-17)11-24-12-18(23-13-24)10-20(25)16-5-4-15-6-7-22-19(15)9-16;1-23(2)19-8-4-6-16(10-19)20(25)11-18-13-24(14-22-18)12-15-5-3-7-17(21)9-15;1-23(2)19-8-6-16(7-9-19)20(25)11-18-13-24(14-22-18)12-15-4-3-5-17(21)10-15;20-15-3-1-2-13(6-15)9-23-10-16(21-11-23)8-18(24)14-4-5-19-17(7-14)22-12-25-19;1-13-17(6-3-7-20-13)18(23)9-16-11-22(12-21-16)10-14-4-2-5-15(19)8-14;1-13-5-6-15(9-20-13)18(23)8-17-11-22(12-21-17)10-14-3-2-4-16(19)7-14/h1-3,5-10,13-14H,4,11-12H2;1-5,7-9,12-13H,6,10-11H2;2*3-10,13-14H,11-12H2,1-2H3;1-7,10-12H,8-9H2;2-8,11-12H,9-10H2,1H3;2-7,9,11-12H,8,10H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone?
1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 2425.82 g/mol, XLogP of 29.05, 37 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-5-yl)-2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[3-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-[4-(dimethylamino)phenyl]ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-inden-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3H-indol-6-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2-methyl-3-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 158486577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).