5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one

C124H131ClF2N20O8S — CID 158938368

IUPAC5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one
SMILESC=C(c1ccc(C#N)s1)C1(c2ccc(C(C)(F)F)cc2)N=C(N)N(C)C1=O.CCCN(CCC)C(=O)CCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.COc1ncccc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCNC(=O)NCc1ccccc1.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCCN(C)C
InChIInChI=1S/C28H24N4O2.C26H27N5O2.C26H34N4O2.C25H30ClN3O.C19H16F2N4OS/c1-34-25-24(16-9-17-30-25)21-11-8-10-20(18-21)19-32-26(33)28(31-27(32)29,22-12-4-2-5-13-22)23-14-6-3-7-15-23;27-24-30-26(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23(32)31(24)18-10-17-28-25(33)29-19-20-11-4-1-5-12-20;1-3-18-29(19-4-2)23(31)17-11-12-20-30-24(32)26(28-25(30)27,21-13-7-5-8-14-21)22-15-9-6-10-16-22;1-28(2)13-3-4-14-29-23(27)17-25(24(29)30,20-11-12-20)21-9-5-7-18(15-21)19-8-6-10-22(26)16-19;1-11(15-9-8-14(10-22)27-15)19(16(26)25(3)17(23)24-19)13-6-4-12(5-7-13)18(2,20)21/h2-18H,19H2,1H3,(H2,29,31);1-9,11-16H,10,17-19H2,(H2,27,30)(H2,28,29,33);5-10,13-16H,3-4,11-12,17-20H2,1-2H3,(H2,27,28);5-10,15-16,20,27H,3-4,11-14,17H2,1-2H3;4-9H,1H2,2-3H3,(H2,23,24)/b;;;27-23+;
InChIKeyJJXYALVKFJFMMZ-BIVJVDTESA-N
MW2135.06 g/mol
LogP19.87
Rot. Bonds37

About 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one

5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one (PubChem CID 158938368) has the molecular formula C124H131ClF2N20O8S and a molecular weight of 2135.06 g/mol. Its IUPAC name is 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one
PubChem CID158938368
Molecular FormulaC124H131ClF2N20O8S
Molecular Weight2135.06 g/mol
Exact Mass2132.98
IUPAC Name5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one
SMILESC=C(c1ccc(C#N)s1)C1(c2ccc(C(C)(F)F)cc2)N=C(N)N(C)C1=O.CCCN(CCC)C(=O)CCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.COc1ncccc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCNC(=O)NCc1ccccc1.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCCN(C)C
InChIInChI=1S/C28H24N4O2.C26H27N5O2.C26H34N4O2.C25H30ClN3O.C19H16F2N4OS/c1-34-25-24(16-9-17-30-25)21-11-8-10-20(18-21)19-32-26(33)28(31-27(32)29,22-12-4-2-5-13-22)23-14-6-3-7-15-23;27-24-30-26(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23(32)31(24)18-10-17-28-25(33)29-19-20-11-4-1-5-12-20;1-3-18-29(19-4-2)23(31)17-11-12-20-30-24(32)26(28-25(30)27,21-13-7-5-8-14-21)22-15-9-6-10-16-22;1-28(2)13-3-4-14-29-23(27)17-25(24(29)30,20-11-12-20)21-9-5-7-18(15-21)19-8-6-10-22(26)16-19;1-11(15-9-8-14(10-22)27-15)19(16(26)25(3)17(23)24-19)13-6-4-12(5-7-13)18(2,20)21/h2-18H,19H2,1H3,(H2,29,31);1-9,11-16H,10,17-19H2,(H2,27,30)(H2,28,29,33);5-10,13-16H,3-4,11-12,17-20H2,1-2H3,(H2,27,28);5-10,15-16,20,27H,3-4,11-14,17H2,1-2H3;4-9H,1H2,2-3H3,(H2,23,24)/b;;;27-23+;
InChIKeyJJXYALVKFJFMMZ-BIVJVDTESA-N
XLogP19.87
TPSA389.51 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002135.06
LogP ≤ 519.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one?
The IUPAC name of 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one (CID 158938368) is 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one.
What is the SMILES notation for 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one?
The canonical SMILES for 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one is C=C(c1ccc(C#N)s1)C1(c2ccc(C(C)(F)F)cc2)N=C(N)N(C)C1=O.CCCN(CCC)C(=O)CCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.COc1ncccc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCNC(=O)NCc1ccccc1.[H]/N=C1\CC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCCN(C)C.
What is the InChIKey of 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one?
The InChIKey is JJXYALVKFJFMMZ-BIVJVDTESA-N. The full InChI is InChI=1S/C28H24N4O2.C26H27N5O2.C26H34N4O2.C25H30ClN3O.C19H16F2N4OS/c1-34-25-24(16-9-17-30-25)21-11-8-10-20(18-21)19-32-26(33)28(31-27(32)29,22-12-4-2-5-13-22)23-14-6-3-7-15-23;27-24-30-26(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23(32)31(24)18-10-17-28-25(33)29-19-20-11-4-1-5-12-20;1-3-18-29(19-4-2)23(31)17-11-12-20-30-24(32)26(28-25(30)27,21-13-7-5-8-14-21)22-15-9-6-10-16-22;1-28(2)13-3-4-14-29-23(27)17-25(24(29)30,20-11-12-20)21-9-5-7-18(15-21)19-8-6-10-22(26)16-19;1-11(15-9-8-14(10-22)27-15)19(16(26)25(3)17(23)24-19)13-6-4-12(5-7-13)18(2,20)21/h2-18H,19H2,1H3,(H2,29,31);1-9,11-16H,10,17-19H2,(H2,27,30)(H2,28,29,33);5-10,13-16H,3-4,11-12,17-20H2,1-2H3,(H2,27,28);5-10,15-16,20,27H,3-4,11-14,17H2,1-2H3;4-9H,1H2,2-3H3,(H2,23,24)/b;;;27-23+;.
What are the key properties of 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one?
5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one has a molecular weight of 2135.06 g/mol, XLogP of 19.87, 37 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-amino-4-[4-(1,1-difluoroethyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]ethenyl]thiophene-2-carbonitrile;2-amino-3-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;5-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N,N-dipropylpentanamide;1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-benzylurea;3-[3-(3-chlorophenyl)phenyl]-3-cyclopropyl-1-[4-(dimethylamino)butyl]-5-iminopyrrolidin-2-one is sourced from PubChem (CID 158938368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).