2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile

C118H123BrClFN22O6S2 — CID 162166274

IUPAC2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile
SMILESCCC(C)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(C)(c2cc3ccccc3s2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](CC(=O)c3cccnc3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3cncc(Br)c3)c2)(C2CC2)N=C1N.CN1C(N)=NC(C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N1C.Cc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C26H32N4O2.C23H21N3O.C22H24ClN3O.C18H17BrN4O.C16H16FN5S.C13H13N3OS/c1-30-24(32)26(29-25(30)27,13-12-19-7-3-2-4-8-19)17-21-10-5-9-20(15-21)16-23(31)22-11-6-14-28-18-22;1-17-9-8-10-18(15-17)16-26-21(27)23(25-22(26)24,19-11-4-2-5-12-19)20-13-6-3-7-14-20;1-3-14(2)26-20(27)22(17-10-11-17,25-21(26)24)18-8-4-6-15(12-18)16-7-5-9-19(23)13-16;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12;1-16(20-15(19)21(2)22(16)3)14-7-12(9-23-14)10-4-5-13(17)11(6-10)8-18;1-13(11(17)16(2)12(14)15-13)10-7-8-5-3-4-6-9(8)18-10/h2-4,6-8,11,14,18,20-21H,5,9-10,12-13,15-17H2,1H3,(H2,27,29);2-15H,16H2,1H3,(H2,24,25);4-9,12-14,17H,3,10-11H2,1-2H3,(H2,24,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22);4-7,9H,1-3H3,(H2,19,20);3-7H,1-2H3,(H2,14,15)/t20-,21+,26-;;;18-;;/m1..1../s1
InChIKeyZNEBYLVVYKLMIU-QXMOCUOISA-N
MW2143.92 g/mol
LogP19.68
Rot. Bonds23

About 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile

2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile (PubChem CID 162166274) has the molecular formula C118H123BrClFN22O6S2 and a molecular weight of 2143.92 g/mol. Its IUPAC name is 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile
PubChem CID162166274
Molecular FormulaC118H123BrClFN22O6S2
Molecular Weight2143.92 g/mol
Exact Mass2140.83
IUPAC Name2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile
SMILESCCC(C)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(C)(c2cc3ccccc3s2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](CC(=O)c3cccnc3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3cncc(Br)c3)c2)(C2CC2)N=C1N.CN1C(N)=NC(C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N1C.Cc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C26H32N4O2.C23H21N3O.C22H24ClN3O.C18H17BrN4O.C16H16FN5S.C13H13N3OS/c1-30-24(32)26(29-25(30)27,13-12-19-7-3-2-4-8-19)17-21-10-5-9-20(15-21)16-23(31)22-11-6-14-28-18-22;1-17-9-8-10-18(15-17)16-26-21(27)23(25-22(26)24,19-11-4-2-5-12-19)20-13-6-3-7-14-20;1-3-14(2)26-20(27)22(17-10-11-17,25-21(26)24)18-8-4-6-15(12-18)16-7-5-9-19(23)13-16;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12;1-16(20-15(19)21(2)22(16)3)14-7-12(9-23-14)10-4-5-13(17)11(6-10)8-18;1-13(11(17)16(2)12(14)15-13)10-7-8-5-3-4-6-9(8)18-10/h2-4,6-8,11,14,18,20-21H,5,9-10,12-13,15-17H2,1H3,(H2,27,29);2-15H,16H2,1H3,(H2,24,25);4-9,12-14,17H,3,10-11H2,1-2H3,(H2,24,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22);4-7,9H,1-3H3,(H2,19,20);3-7H,1-2H3,(H2,14,15)/t20-,21+,26-;;;18-;;/m1..1../s1
InChIKeyZNEBYLVVYKLMIU-QXMOCUOISA-N
XLogP19.68
TPSA404.95 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002143.92
LogP ≤ 519.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile?
The IUPAC name of 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile (CID 162166274) is 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile?
The canonical SMILES for 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile is CCC(C)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(C)(c2cc3ccccc3s2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](CC(=O)c3cccnc3)C2)N=C1N.CN1C(=O)[C@](c2cccc(-c3cncc(Br)c3)c2)(C2CC2)N=C1N.CN1C(N)=NC(C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N1C.Cc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.
What is the InChIKey of 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile?
The InChIKey is ZNEBYLVVYKLMIU-QXMOCUOISA-N. The full InChI is InChI=1S/C26H32N4O2.C23H21N3O.C22H24ClN3O.C18H17BrN4O.C16H16FN5S.C13H13N3OS/c1-30-24(32)26(29-25(30)27,13-12-19-7-3-2-4-8-19)17-21-10-5-9-20(15-21)16-23(31)22-11-6-14-28-18-22;1-17-9-8-10-18(15-17)16-26-21(27)23(25-22(26)24,19-11-4-2-5-12-19)20-13-6-3-7-14-20;1-3-14(2)26-20(27)22(17-10-11-17,25-21(26)24)18-8-4-6-15(12-18)16-7-5-9-19(23)13-16;1-23-16(24)18(13-5-6-13,22-17(23)20)14-4-2-3-11(7-14)12-8-15(19)10-21-9-12;1-16(20-15(19)21(2)22(16)3)14-7-12(9-23-14)10-4-5-13(17)11(6-10)8-18;1-13(11(17)16(2)12(14)15-13)10-7-8-5-3-4-6-9(8)18-10/h2-4,6-8,11,14,18,20-21H,5,9-10,12-13,15-17H2,1H3,(H2,27,29);2-15H,16H2,1H3,(H2,24,25);4-9,12-14,17H,3,10-11H2,1-2H3,(H2,24,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22);4-7,9H,1-3H3,(H2,19,20);3-7H,1-2H3,(H2,14,15)/t20-,21+,26-;;;18-;;/m1..1../s1.
What are the key properties of 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile?
2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile has a molecular weight of 2143.92 g/mol, XLogP of 19.68, 23 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-benzothiophen-2-yl)-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-3-butan-2-yl-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;(5R)-2-amino-3-methyl-5-[[(1S,3R)-3-(2-oxo-2-pyridin-3-ylethyl)cyclohexyl]methyl]-5-(2-phenylethyl)imidazol-4-one;2-amino-3-[(3-methylphenyl)methyl]-5,5-diphenylimidazol-4-one;5-[5-(5-amino-1,2,3-trimethyl-1,2,4-triazol-3-yl)thiophen-3-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 162166274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).