2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one

C120H130BrClN22O7 — CID 160853481

IUPAC2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncc(Br)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(C4CC4)c3)c2)N=C1N.CN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)NCCc3ccccc3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C30H32N4O2.C28H43N5O2.C24H22N4O.C20H16ClN5O.C18H17BrN4O/c31-29-32-30(25-12-6-2-7-13-25,26-14-8-3-9-15-26)28(36)34(29)22-24-18-20-33(21-19-24)27(35)17-16-23-10-4-1-5-11-23;1-33-25(34)28(32-26(33)29,17-15-21-9-4-2-5-10-21)20-23-13-8-14-24(19-23)31-27(35)30-18-16-22-11-6-3-7-12-22;1-28-22(29)24(27-23(28)25,20-7-3-2-4-8-20)21-9-5-6-17(13-21)19-12-18(14-26-15-19)16-10-11-16;1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14;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/h1-15,24H,16-22H2,(H2,31,32);3,6-7,11-12,21,23-24H,2,4-5,8-10,13-20H2,1H3,(H2,29,32)(H2,30,31,35);2-9,12-16H,10-11H2,1H3,(H2,25,27);2-12H,1H3,(H2,22,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;23-,24+,28+;;;/m.0.../s1
InChIKeySJOHYHHSELCYDI-XSVMMATQSA-N
MW2107.86 g/mol
LogP17.71
Rot. Bonds26

About 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one

2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one (PubChem CID 160853481) has the molecular formula C120H130BrClN22O7 and a molecular weight of 2107.86 g/mol. Its IUPAC name is 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one
PubChem CID160853481
Molecular FormulaC120H130BrClN22O7
Molecular Weight2107.86 g/mol
Exact Mass2104.94
IUPAC Name2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncc(Br)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(C4CC4)c3)c2)N=C1N.CN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)NCCc3ccccc3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C30H32N4O2.C28H43N5O2.C24H22N4O.C20H16ClN5O.C18H17BrN4O/c31-29-32-30(25-12-6-2-7-13-25,26-14-8-3-9-15-26)28(36)34(29)22-24-18-20-33(21-19-24)27(35)17-16-23-10-4-1-5-11-23;1-33-25(34)28(32-26(33)29,17-15-21-9-4-2-5-10-21)20-23-13-8-14-24(19-23)31-27(35)30-18-16-22-11-6-3-7-12-22;1-28-22(29)24(27-23(28)25,20-7-3-2-4-8-20)21-9-5-6-17(13-21)19-12-18(14-26-15-19)16-10-11-16;1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14;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/h1-15,24H,16-22H2,(H2,31,32);3,6-7,11-12,21,23-24H,2,4-5,8-10,13-20H2,1H3,(H2,29,32)(H2,30,31,35);2-9,12-16H,10-11H2,1H3,(H2,25,27);2-12H,1H3,(H2,22,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;23-,24+,28+;;;/m.0.../s1
InChIKeySJOHYHHSELCYDI-XSVMMATQSA-N
XLogP17.71
TPSA406.45 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002107.86
LogP ≤ 517.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one (CID 160853481) is 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncc(Br)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncc(C4CC4)c3)c2)N=C1N.CN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)NCCc3ccccc3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one?
The InChIKey is SJOHYHHSELCYDI-XSVMMATQSA-N. The full InChI is InChI=1S/C30H32N4O2.C28H43N5O2.C24H22N4O.C20H16ClN5O.C18H17BrN4O/c31-29-32-30(25-12-6-2-7-13-25,26-14-8-3-9-15-26)28(36)34(29)22-24-18-20-33(21-19-24)27(35)17-16-23-10-4-1-5-11-23;1-33-25(34)28(32-26(33)29,17-15-21-9-4-2-5-10-21)20-23-13-8-14-24(19-23)31-27(35)30-18-16-22-11-6-3-7-12-22;1-28-22(29)24(27-23(28)25,20-7-3-2-4-8-20)21-9-5-6-17(13-21)19-12-18(14-26-15-19)16-10-11-16;1-26-18(27)20(25-19(26)22,16-10-23-12-24-11-16)15-6-2-4-13(8-15)14-5-3-7-17(21)9-14;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/h1-15,24H,16-22H2,(H2,31,32);3,6-7,11-12,21,23-24H,2,4-5,8-10,13-20H2,1H3,(H2,29,32)(H2,30,31,35);2-9,12-16H,10-11H2,1H3,(H2,25,27);2-12H,1H3,(H2,22,25);2-4,7-10,13H,5-6H2,1H3,(H2,20,22)/t;23-,24+,28+;;;/m.0.../s1.
What are the key properties of 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one?
2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one has a molecular weight of 2107.86 g/mol, XLogP of 17.71, 26 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(5-bromo-3-pyridinyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-5-ylimidazol-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one is sourced from PubChem (CID 160853481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).