2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide

C113H113N19O8S2 — CID 159755256

IUPAC2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCN1C(=O)C[C@@](C)(c2ccc3nccn3c2)N=C1N.Cc1ccc(OC(C)C)c(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.Cc1cncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C(C)(C)C#N)cc3)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1.O=C(Nc1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C32H27N3O3.C26H27N5OS.C22H19N3O.C20H25N3O2S.C13H15N5O/c36-29(28-20-27(28)23-12-4-1-5-13-23)33-26-18-10-11-22(19-26)21-35-30(37)32(34-31(35)38,24-14-6-2-7-15-24)25-16-8-3-9-17-25;1-16-10-18(13-29-12-16)19-11-21(33-14-19)26(4)22(23(32)31(5)24(28)30-26)17-6-8-20(9-7-17)25(2,3)15-27;23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17;1-12(2)25-16-7-6-13(3)8-15(16)14-9-17(26-11-14)20(4)10-18(24)23(5)19(21)22-20;1-13(7-11(19)17(2)12(14)16-13)9-3-4-10-15-5-6-18(10)8-9/h1-19,27-28H,20-21H2,(H,33,36)(H,34,38);6-14,22H,1-5H3,(H2,28,30);1-15H,16H2,(H2,23,24);6-9,11-12H,10H2,1-5H3,(H2,21,22);3-6,8H,7H2,1-2H3,(H2,14,16)/t27-,28+;22-,26-;;20-;13-/m01.00/s1
InChIKeyNEEFTMRELZUGLL-VAPZWPOXSA-N
MW1929.41 g/mol
LogP18.05
Rot. Bonds20

About 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide

2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 159755256) has the molecular formula C113H113N19O8S2 and a molecular weight of 1929.41 g/mol. Its IUPAC name is 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID159755256
Molecular FormulaC113H113N19O8S2
Molecular Weight1929.41 g/mol
Exact Mass1927.85
IUPAC Name2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCN1C(=O)C[C@@](C)(c2ccc3nccn3c2)N=C1N.Cc1ccc(OC(C)C)c(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.Cc1cncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C(C)(C)C#N)cc3)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1.O=C(Nc1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C32H27N3O3.C26H27N5OS.C22H19N3O.C20H25N3O2S.C13H15N5O/c36-29(28-20-27(28)23-12-4-1-5-13-23)33-26-18-10-11-22(19-26)21-35-30(37)32(34-31(35)38,24-14-6-2-7-15-24)25-16-8-3-9-17-25;1-16-10-18(13-29-12-16)19-11-21(33-14-19)26(4)22(23(32)31(5)24(28)30-26)17-6-8-20(9-7-17)25(2,3)15-27;23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17;1-12(2)25-16-7-6-13(3)8-15(16)14-9-17(26-11-14)20(4)10-18(24)23(5)19(21)22-20;1-13(7-11(19)17(2)12(14)16-13)9-3-4-10-15-5-6-18(10)8-9/h1-19,27-28H,20-21H2,(H,33,36)(H,34,38);6-14,22H,1-5H3,(H2,28,30);1-15H,16H2,(H2,23,24);6-9,11-12H,10H2,1-5H3,(H2,21,22);3-6,8H,7H2,1-2H3,(H2,14,16)/t27-,28+;22-,26-;;20-;13-/m01.00/s1
InChIKeyNEEFTMRELZUGLL-VAPZWPOXSA-N
XLogP18.05
TPSA376.48 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.41
LogP ≤ 518.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide (CID 159755256) is 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide is CN1C(=O)C[C@@](C)(c2ccc3nccn3c2)N=C1N.Cc1ccc(OC(C)C)c(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.Cc1cncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C(C)(C)C#N)cc3)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1.O=C(Nc1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is NEEFTMRELZUGLL-VAPZWPOXSA-N. The full InChI is InChI=1S/C32H27N3O3.C26H27N5OS.C22H19N3O.C20H25N3O2S.C13H15N5O/c36-29(28-20-27(28)23-12-4-1-5-13-23)33-26-18-10-11-22(19-26)21-35-30(37)32(34-31(35)38,24-14-6-2-7-15-24)25-16-8-3-9-17-25;1-16-10-18(13-29-12-16)19-11-21(33-14-19)26(4)22(23(32)31(5)24(28)30-26)17-6-8-20(9-7-17)25(2,3)15-27;23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17;1-12(2)25-16-7-6-13(3)8-15(16)14-9-17(26-11-14)20(4)10-18(24)23(5)19(21)22-20;1-13(7-11(19)17(2)12(14)16-13)9-3-4-10-15-5-6-18(10)8-9/h1-19,27-28H,20-21H2,(H,33,36)(H,34,38);6-14,22H,1-5H3,(H2,28,30);1-15H,16H2,(H2,23,24);6-9,11-12H,10H2,1-5H3,(H2,21,22);3-6,8H,7H2,1-2H3,(H2,14,16)/t27-,28+;22-,26-;;20-;13-/m01.00/s1.
What are the key properties of 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide?
2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 1929.41 g/mol, XLogP of 18.05, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzyl-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(5-methyl-2-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one;2-[4-[(4S,5S)-2-amino-1,4-dimethyl-4-[4-(5-methyl-3-pyridinyl)thiophen-2-yl]-6-oxo-5H-pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5H-pyrimidin-4-one;trans-(1R,2R)-N-[3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]phenyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 159755256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).