3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide

C136H133ClN20O9S2 — CID 159318144

IUPAC3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide
SMILESCC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CCn1ncc2cc([C@@H]3C(=O)N(C)C(N)=N[C@]3(C)c3cc(-c4cccc(C#N)c4)cs3)ccc21.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C1CCCCCC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C30H25N3O2.C28H28N4O2.C27H28N4O3S.C26H24N6OS.C25H28ClN3O/c1-21(34)23-15-17-24(18-16-23)25-10-8-9-22(19-25)20-33-28(35)30(32-29(33)31,26-11-4-2-5-12-26)27-13-6-3-7-14-27;29-27-31-28(22-13-3-1-4-14-22,23-15-5-2-6-16-23)26(34)32(27)19-20-10-9-17-24(18-20)30-25(33)21-11-7-8-12-21;28-26-29-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)25(32)31(26)20-21-11-10-18-30(19-21)35(33,34)24-16-8-3-9-17-24;1-4-32-21-9-8-18(11-19(21)14-29-32)23-24(33)31(3)25(28)30-26(23,2)22-12-20(15-34-22)17-7-5-6-16(10-17)13-27;26-21-10-6-8-18(16-21)17-7-5-9-20(15-17)25(19-13-14-19)23(30)29(24(27)28-25)22-11-3-1-2-4-12-22/h2-19H,20H2,1H3,(H2,31,32);1-6,9-10,13-18,21H,7-8,11-12,19H2,(H2,29,31)(H,30,33);1-9,12-17,21H,10-11,18-20H2,(H2,28,29);5-12,14-15,23H,4H2,1-3H3,(H2,28,30);5-10,15-16,19,22H,1-4,11-14H2,(H2,27,28)/t;;21-;23-,26-;/m..01./s1
InChIKeyLDKJJLXAPULFNS-FCPPEHHSSA-N
MW2291.28 g/mol
LogP22.69
Rot. Bonds26

About 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide

3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide (PubChem CID 159318144) has the molecular formula C136H133ClN20O9S2 and a molecular weight of 2291.28 g/mol. Its IUPAC name is 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound Name3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide
PubChem CID159318144
Molecular FormulaC136H133ClN20O9S2
Molecular Weight2291.28 g/mol
Exact Mass2288.97
IUPAC Name3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide
SMILESCC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CCn1ncc2cc([C@@H]3C(=O)N(C)C(N)=N[C@]3(C)c3cc(-c4cccc(C#N)c4)cs3)ccc21.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C1CCCCCC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C30H25N3O2.C28H28N4O2.C27H28N4O3S.C26H24N6OS.C25H28ClN3O/c1-21(34)23-15-17-24(18-16-23)25-10-8-9-22(19-25)20-33-28(35)30(32-29(33)31,26-11-4-2-5-12-26)27-13-6-3-7-14-27;29-27-31-28(22-13-3-1-4-14-22,23-15-5-2-6-16-23)26(34)32(27)19-20-10-9-17-24(18-20)30-25(33)21-11-7-8-12-21;28-26-29-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)25(32)31(26)20-21-11-10-18-30(19-21)35(33,34)24-16-8-3-9-17-24;1-4-32-21-9-8-18(11-19(21)14-29-32)23-24(33)31(3)25(28)30-26(23,2)22-12-20(15-34-22)17-7-5-6-16(10-17)13-27;26-21-10-6-8-18(16-21)17-7-5-9-20(15-17)25(19-13-14-19)23(30)29(24(27)28-25)22-11-3-1-2-4-12-22/h2-19H,20H2,1H3,(H2,31,32);1-6,9-10,13-18,21H,7-8,11-12,19H2,(H2,29,31)(H,30,33);1-9,12-17,21H,10-11,18-20H2,(H2,28,29);5-12,14-15,23H,4H2,1-3H3,(H2,28,30);5-10,15-16,19,22H,1-4,11-14H2,(H2,27,28)/t;;21-;23-,26-;/m..01./s1
InChIKeyLDKJJLXAPULFNS-FCPPEHHSSA-N
XLogP22.69
TPSA418.61 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.28
LogP ≤ 522.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide (CID 159318144) is 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide is CC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CCn1ncc2cc([C@@H]3C(=O)N(C)C(N)=N[C@]3(C)c3cc(-c4cccc(C#N)c4)cs3)ccc21.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1C1CCCCCC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NC(=O)C2CCCC2)c1.
What is the InChIKey of 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is LDKJJLXAPULFNS-FCPPEHHSSA-N. The full InChI is InChI=1S/C30H25N3O2.C28H28N4O2.C27H28N4O3S.C26H24N6OS.C25H28ClN3O/c1-21(34)23-15-17-24(18-16-23)25-10-8-9-22(19-25)20-33-28(35)30(32-29(33)31,26-11-4-2-5-12-26)27-13-6-3-7-14-27;29-27-31-28(22-13-3-1-4-14-22,23-15-5-2-6-16-23)26(34)32(27)19-20-10-9-17-24(18-20)30-25(33)21-11-7-8-12-21;28-26-29-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)25(32)31(26)20-21-11-10-18-30(19-21)35(33,34)24-16-8-3-9-17-24;1-4-32-21-9-8-18(11-19(21)14-29-32)23-24(33)31(3)25(28)30-26(23,2)22-12-20(15-34-22)17-7-5-6-16(10-17)13-27;26-21-10-6-8-18(16-21)17-7-5-9-20(15-17)25(19-13-14-19)23(30)29(24(27)28-25)22-11-3-1-2-4-12-22/h2-19H,20H2,1H3,(H2,31,32);1-6,9-10,13-18,21H,7-8,11-12,19H2,(H2,29,31)(H,30,33);1-9,12-17,21H,10-11,18-20H2,(H2,28,29);5-12,14-15,23H,4H2,1-3H3,(H2,28,30);5-10,15-16,19,22H,1-4,11-14H2,(H2,27,28)/t;;21-;23-,26-;/m..01./s1.
What are the key properties of 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide?
3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 2291.28 g/mol, XLogP of 22.69, 26 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-cycloheptyl-5-cyclopropylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-(1-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 159318144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).