3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide

C121H112ClN21O9S2 — CID 158563961

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc5[nH]ccc45)c3)N=C2N)CC1.CN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccccn2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C29H25N5O2.C26H29N5O2.C25H24N4O3S.C22H18ClN3O.C19H16N4OS/c30-28-33-29(23-12-3-1-4-13-23,24-14-5-2-6-15-24)27(36)34(28)20-21-10-9-11-22(18-21)26(35)32-19-25-16-7-8-17-31-25;1-17(32)30-13-10-18(11-14-30)16-31-24(33)26(2,29-25(31)27)20-6-3-5-19(15-20)21-7-4-8-23-22(21)9-12-28-23;26-24-27-25(19-9-3-1-4-10-19,20-11-5-2-6-12-20)23(30)29(24)17-18-8-7-13-21(16-18)28-33(31,32)22-14-15-22;23-19-13-11-16(12-14-19)15-26-20(27)22(25-21(26)24,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h1-18H,19-20H2,(H2,30,33)(H,32,35);3-9,12,15,18,28H,10-11,13-14,16H2,1-2H3,(H2,27,29);1-13,16,22,28H,14-15,17H2,(H2,26,27);1-14H,15H2,(H2,24,25);2-12H,1H3,(H2,20,22)
InChIKeyHRFWCKAOFIDEFW-UHFFFAOYSA-N
MW2103.95 g/mol
LogP17.05
Rot. Bonds25

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 158563961) has the molecular formula C121H112ClN21O9S2 and a molecular weight of 2103.95 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID158563961
Molecular FormulaC121H112ClN21O9S2
Molecular Weight2103.95 g/mol
Exact Mass2101.81
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc5[nH]ccc45)c3)N=C2N)CC1.CN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccccn2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C29H25N5O2.C26H29N5O2.C25H24N4O3S.C22H18ClN3O.C19H16N4OS/c30-28-33-29(23-12-3-1-4-13-23,24-14-5-2-6-15-24)27(36)34(28)20-21-10-9-11-22(18-21)26(35)32-19-25-16-7-8-17-31-25;1-17(32)30-13-10-18(11-14-30)16-31-24(33)26(2,29-25(31)27)20-6-3-5-19(15-20)21-7-4-8-23-22(21)9-12-28-23;26-24-27-25(19-9-3-1-4-10-19,20-11-5-2-6-12-20)23(30)29(24)17-18-8-7-13-21(16-18)28-33(31,32)22-14-15-22;23-19-13-11-16(12-14-19)15-26-20(27)22(25-21(26)24,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h1-18H,19-20H2,(H2,30,33)(H,32,35);3-9,12,15,18,28H,10-11,13-14,16H2,1-2H3,(H2,27,29);1-13,16,22,28H,14-15,17H2,(H2,26,27);1-14H,15H2,(H2,24,25);2-12H,1H3,(H2,20,22)
InChIKeyHRFWCKAOFIDEFW-UHFFFAOYSA-N
XLogP17.05
TPSA430.60 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.95
LogP ≤ 517.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide with MolForge

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Related Compounds

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-2-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one
CID 59387327
(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide
CID 158672823
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 59388257
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-methylphenyl)phenyl]imidazol-4-one
CID 59262451
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 59387080
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
3-[5-[(4S,5R)-2-amino-5-[1-(benzenesulfonyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-5-[1-(benzenesulfonyl)piperidin-4-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]butanamide
CID 162179184
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(1,3-benzothiazol-6-ylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one
CID 59388061
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(2-ethylpyrazol-3-yl)phenyl]-5-methylimidazol-4-one
CID 175264537
(5S)-2-amino-3-[[(3R)-1-benzylsulfonylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one
CID 70128104
2-amino-3-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-[3-(3-hydroxyphenyl)phenyl]-5-methylimidazol-4-one
CID 89247921
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(1H-indol-5-ylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;(6'S)-2'-amino-6'-(4-bromothiophen-2-yl)-6-methoxy-3',6'-dimethylspiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-3-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]imidazol-4-one;5-[5-(3-amino-2,5-dimethyl-6H-1,2,4-oxadiazin-5-yl)thiophen-3-yl]-2-fluorobenzonitrile;(6S)-2-amino-3,6-dimethyl-6-(7-phenyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-thiophen-2-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one
CID 160945617

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 158563961) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc5[nH]ccc45)c3)N=C2N)CC1.CN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCc2ccccn2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)C2CC2)c1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HRFWCKAOFIDEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2.C26H29N5O2.C25H24N4O3S.C22H18ClN3O.C19H16N4OS/c30-28-33-29(23-12-3-1-4-13-23,24-14-5-2-6-15-24)27(36)34(28)20-21-10-9-11-22(18-21)26(35)32-19-25-16-7-8-17-31-25;1-17(32)30-13-10-18(11-14-30)16-31-24(33)26(2,29-25(31)27)20-6-3-5-19(15-20)21-7-4-8-23-22(21)9-12-28-23;26-24-27-25(19-9-3-1-4-10-19,20-11-5-2-6-12-20)23(30)29(24)17-18-8-7-13-21(16-18)28-33(31,32)22-14-15-22;23-19-13-11-16(12-14-19)15-26-20(27)22(25-21(26)24,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h1-18H,19-20H2,(H2,30,33)(H,32,35);3-9,12,15,18,28H,10-11,13-14,16H2,1-2H3,(H2,27,29);1-13,16,22,28H,14-15,17H2,(H2,26,27);1-14H,15H2,(H2,24,25);2-12H,1H3,(H2,20,22).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 2103.95 g/mol, XLogP of 17.05, 25 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(1H-indol-4-yl)phenyl]-5-methylimidazol-4-one;2-amino-3-[(4-chlorophenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanesulfonamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 158563961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).