2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile

C104H107N17O10S3 — CID 158636393

IUPAC2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(CS(=O)(=O)c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccnc(-c3cccc(C#N)c3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)C2CC2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C28H29N5O.C28H30N4O3S.C24H28N4O3S.C24H20N4O3S/c1-27(2,3)21-11-9-19(10-12-21)24-25(34)33(5)26(30)32-28(24,4)22-13-14-31-23(16-22)20-8-6-7-18(15-20)17-29;29-27-30-28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26(33)32(27)20-23-13-10-18-31(19-23)36(34,35)21-22-11-4-1-5-12-22;25-23-26-24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)22(29)28(23)17-18-8-7-15-27(16-18)32(30,31)21-13-14-21;1-28-22(29)24(27-23(28)26,19-9-3-2-4-10-19)20-11-5-8-18(13-20)16-32(30,31)21-12-6-7-17(14-21)15-25/h6-16,24H,1-5H3,(H2,30,32);1-9,11-12,14-17,23H,10,13,18-21H2,(H2,29,30);1-6,9-12,18,21H,7-8,13-17H2,(H2,25,26);2-14H,16H2,1H3,(H2,26,27)/t24-,28-;23-;18-;/m100./s1
InChIKeyHZVAPQPRMKEWTP-RFVVMXSQSA-N
MW1851.31 g/mol
LogP12.89
Rot. Bonds21

About 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile

2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile (PubChem CID 158636393) has the molecular formula C104H107N17O10S3 and a molecular weight of 1851.31 g/mol. Its IUPAC name is 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile.

Molecular Properties

Compound Name2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile
PubChem CID158636393
Molecular FormulaC104H107N17O10S3
Molecular Weight1851.31 g/mol
Exact Mass1849.75
IUPAC Name2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(CS(=O)(=O)c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccnc(-c3cccc(C#N)c3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)C2CC2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C28H29N5O.C28H30N4O3S.C24H28N4O3S.C24H20N4O3S/c1-27(2,3)21-11-9-19(10-12-21)24-25(34)33(5)26(30)32-28(24,4)22-13-14-31-23(16-22)20-8-6-7-18(15-20)17-29;29-27-30-28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26(33)32(27)20-23-13-10-18-31(19-23)36(34,35)21-22-11-4-1-5-12-22;25-23-26-24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)22(29)28(23)17-18-8-7-15-27(16-18)32(30,31)21-13-14-21;1-28-22(29)24(27-23(28)26,19-9-3-2-4-10-19)20-11-5-8-18(13-20)16-32(30,31)21-12-6-7-17(14-21)15-25/h6-16,24H,1-5H3,(H2,30,32);1-9,11-12,14-17,23H,10,13,18-21H2,(H2,29,30);1-6,9-12,18,21H,7-8,13-17H2,(H2,25,26);2-14H,16H2,1H3,(H2,26,27)/t24-,28-;23-;18-;/m100./s1
InChIKeyHZVAPQPRMKEWTP-RFVVMXSQSA-N
XLogP12.89
TPSA404.13 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001851.31
LogP ≤ 512.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile with MolForge

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Related Compounds

5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 159860857
(5S,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 160005464

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile?
The IUPAC name of 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile (CID 158636393) is 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile.
What is the SMILES notation for 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile?
The canonical SMILES for 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile is CN1C(=O)C(c2ccccc2)(c2cccc(CS(=O)(=O)c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2ccnc(-c3cccc(C#N)c3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)C2CC2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile?
The InChIKey is HZVAPQPRMKEWTP-RFVVMXSQSA-N. The full InChI is InChI=1S/C28H29N5O.C28H30N4O3S.C24H28N4O3S.C24H20N4O3S/c1-27(2,3)21-11-9-19(10-12-21)24-25(34)33(5)26(30)32-28(24,4)22-13-14-31-23(16-22)20-8-6-7-18(15-20)17-29;29-27-30-28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26(33)32(27)20-23-13-10-18-31(19-23)36(34,35)21-22-11-4-1-5-12-22;25-23-26-24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)22(29)28(23)17-18-8-7-15-27(16-18)32(30,31)21-13-14-21;1-28-22(29)24(27-23(28)26,19-9-3-2-4-10-19)20-11-5-8-18(13-20)16-32(30,31)21-12-6-7-17(14-21)15-25/h6-16,24H,1-5H3,(H2,30,32);1-9,11-12,14-17,23H,10,13,18-21H2,(H2,29,30);1-6,9-12,18,21H,7-8,13-17H2,(H2,25,26);2-14H,16H2,1H3,(H2,26,27)/t24-,28-;23-;18-;/m100./s1.
What are the key properties of 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile?
2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile has a molecular weight of 1851.31 g/mol, XLogP of 12.89, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(3R)-1-benzylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[4-[(4S,5S)-2-amino-5-(4-tert-butylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]benzonitrile;2-amino-3-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;3-[[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]methylsulfonyl]benzonitrile is sourced from PubChem (CID 158636393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).