3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide

C128H132N22O11S2 — CID 159836673

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4c(C)n[nH]c4C)c3)N=C2N)CC1.CCN(CCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1)S(C)(=O)=O.CCN(Cc1ccncc1)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN(C)C(=O)c1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.CN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C31H29N5O2.C31H28N4O2.C23H30N6O2.C22H19N3O2S.C21H26N4O3S/c1-2-35(21-23-16-18-33-19-17-23)28(37)25-11-9-10-24(20-25)22-36-29(38)31(34-30(36)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-34(2)28(36)25-14-10-13-24(20-25)23-12-9-11-22(19-23)21-35-29(37)31(33-30(35)32,26-15-5-3-6-16-26)27-17-7-4-8-18-27;1-14-20(15(2)27-26-14)18-6-5-7-19(12-18)23(4)21(31)29(22(24)25-23)13-17-8-10-28(11-9-17)16(3)30;1-25-20(27)22(24-21(25)23,16-8-3-2-4-9-16)17-10-5-7-15(13-17)14-18(26)19-11-6-12-28-19;1-4-25(29(3,27)28)14-13-16-9-8-12-18(15-16)21(17-10-6-5-7-11-17)19(26)24(2)20(22)23-21/h3-20H,2,21-22H2,1H3,(H2,32,34);3-20H,21H2,1-2H3,(H2,32,33);5-7,12,17H,8-11,13H2,1-4H3,(H2,24,25)(H,26,27);2-13H,14H2,1H3,(H2,23,24);5-12,15H,4,13-14H2,1-3H3,(H2,22,23)
InChIKeyNODVYGDJAVPXCJ-UHFFFAOYSA-N
MW2218.74 g/mol
LogP16.07
Rot. Bonds30

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide (PubChem CID 159836673) has the molecular formula C128H132N22O11S2 and a molecular weight of 2218.74 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide
PubChem CID159836673
Molecular FormulaC128H132N22O11S2
Molecular Weight2218.74 g/mol
Exact Mass2216.99
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4c(C)n[nH]c4C)c3)N=C2N)CC1.CCN(CCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1)S(C)(=O)=O.CCN(Cc1ccncc1)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN(C)C(=O)c1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.CN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C31H29N5O2.C31H28N4O2.C23H30N6O2.C22H19N3O2S.C21H26N4O3S/c1-2-35(21-23-16-18-33-19-17-23)28(37)25-11-9-10-24(20-25)22-36-29(38)31(34-30(36)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-34(2)28(36)25-14-10-13-24(20-25)23-12-9-11-22(19-23)21-35-29(37)31(33-30(35)32,26-15-5-3-6-16-26)27-17-7-4-8-18-27;1-14-20(15(2)27-26-14)18-6-5-7-19(12-18)23(4)21(31)29(22(24)25-23)13-17-8-10-28(11-9-17)16(3)30;1-25-20(27)22(24-21(25)23,16-8-3-2-4-9-16)17-10-5-7-15(13-17)14-18(26)19-11-6-12-28-19;1-4-25(29(3,27)28)14-13-16-9-8-12-18(15-16)21(17-10-6-5-7-11-17)19(26)24(2)20(22)23-21/h3-20H,2,21-22H2,1H3,(H2,32,34);3-20H,21H2,1-2H3,(H2,32,33);5-7,12,17H,8-11,13H2,1-4H3,(H2,24,25)(H,26,27);2-13H,14H2,1H3,(H2,23,24);5-12,15H,4,13-14H2,1-3H3,(H2,22,23)
InChIKeyNODVYGDJAVPXCJ-UHFFFAOYSA-N
XLogP16.07
TPSA450.40 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002218.74
LogP ≤ 516.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

(5S)-2-amino-5-(cyclohexylmethyl)-5-cyclopropyl-3-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(4-propan-2-ylsulfonylphenyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-pentyl-2H-indazol-5-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(4-pyridin-3-yl-2-pyridinyl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(thiophene-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
CID 160835446

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide (CID 159836673) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4c(C)n[nH]c4C)c3)N=C2N)CC1.CCN(CCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1)S(C)(=O)=O.CCN(Cc1ccncc1)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN(C)C(=O)c1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.CN1C(=O)C(c2ccccc2)(c2cccc(CC(=O)c3cccs3)c2)N=C1N.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide?
The InChIKey is NODVYGDJAVPXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2.C31H28N4O2.C23H30N6O2.C22H19N3O2S.C21H26N4O3S/c1-2-35(21-23-16-18-33-19-17-23)28(37)25-11-9-10-24(20-25)22-36-29(38)31(34-30(36)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-34(2)28(36)25-14-10-13-24(20-25)23-12-9-11-22(19-23)21-35-29(37)31(33-30(35)32,26-15-5-3-6-16-26)27-17-7-4-8-18-27;1-14-20(15(2)27-26-14)18-6-5-7-19(12-18)23(4)21(31)29(22(24)25-23)13-17-8-10-28(11-9-17)16(3)30;1-25-20(27)22(24-21(25)23,16-8-3-2-4-9-16)17-10-5-7-15(13-17)14-18(26)19-11-6-12-28-19;1-4-25(29(3,27)28)14-13-16-9-8-12-18(15-16)21(17-10-6-5-7-11-17)19(26)24(2)20(22)23-21/h3-20H,2,21-22H2,1H3,(H2,32,34);3-20H,21H2,1-2H3,(H2,32,33);5-7,12,17H,8-11,13H2,1-4H3,(H2,24,25)(H,26,27);2-13H,14H2,1H3,(H2,23,24);5-12,15H,4,13-14H2,1-3H3,(H2,22,23).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide has a molecular weight of 2218.74 g/mol, XLogP of 16.07, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-methylimidazol-4-one;N-[2-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]ethyl]-N-ethylmethanesulfonamide;2-amino-3-methyl-5-[3-(2-oxo-2-thiophen-2-ylethyl)phenyl]-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 159836673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).