3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one

C113H128BrClFN21O10 — CID 157058533

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(=O)N5CCOCC5)c4)c3)N=C2N)CC1.CCC1(c2cccc(Br)c2)N=C(N)N(C)C1=O.CN1C(=O)C(C)(c2cccc(-c3cc(F)cnc3Cl)c2)N=C1N.COc1ccc(CNCC2CC2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H39N5O3.C29H35N5O4.C26H26N4O.C16H14ClFN4O.C12H14BrN3O/c1-20(36)34-13-11-22(12-14-34)19-35-28(37)30(2,33-29(35)31)25-6-4-5-23(15-25)27-16-26(38-3)10-9-24(27)18-32-17-21-7-8-21;1-20(35)32-11-9-21(10-12-32)19-34-27(37)29(2,31-28(34)30)25-8-4-6-23(18-25)22-5-3-7-24(17-22)26(36)33-13-15-38-16-14-33;27-25-28-26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24(31)30(25)23-16-17-29(19-23)18-20-10-4-1-5-11-20;1-16(14(23)22(2)15(19)21-16)10-5-3-4-9(6-10)12-7-11(18)8-20-13(12)17;1-3-12(8-5-4-6-9(13)7-8)10(17)16(2)11(14)15-12/h4-6,9-10,15-16,21-22,32H,7-8,11-14,17-19H2,1-3H3,(H2,31,33);3-8,17-18,21H,9-16,19H2,1-2H3,(H2,30,31);1-15,23H,16-19H2,(H2,27,28);3-8H,1-2H3,(H2,19,21);4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyABARUTLJSDUEGN-UHFFFAOYSA-N
MW2074.76 g/mol
LogP13.69
Rot. Bonds23

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one (PubChem CID 157058533) has the molecular formula C113H128BrClFN21O10 and a molecular weight of 2074.76 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
PubChem CID157058533
Molecular FormulaC113H128BrClFN21O10
Molecular Weight2074.76 g/mol
Exact Mass2071.90
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(=O)N5CCOCC5)c4)c3)N=C2N)CC1.CCC1(c2cccc(Br)c2)N=C(N)N(C)C1=O.CN1C(=O)C(C)(c2cccc(-c3cc(F)cnc3Cl)c2)N=C1N.COc1ccc(CNCC2CC2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H39N5O3.C29H35N5O4.C26H26N4O.C16H14ClFN4O.C12H14BrN3O/c1-20(36)34-13-11-22(12-14-34)19-35-28(37)30(2,33-29(35)31)25-6-4-5-23(15-25)27-16-26(38-3)10-9-24(27)18-32-17-21-7-8-21;1-20(35)32-11-9-21(10-12-32)19-34-27(37)29(2,31-28(34)30)25-8-4-6-23(18-25)22-5-3-7-24(17-22)26(36)33-13-15-38-16-14-33;27-25-28-26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24(31)30(25)23-16-17-29(19-23)18-20-10-4-1-5-11-20;1-16(14(23)22(2)15(19)21-16)10-5-3-4-9(6-10)12-7-11(18)8-20-13(12)17;1-3-12(8-5-4-6-9(13)7-8)10(17)16(2)11(14)15-12/h4-6,9-10,15-16,21-22,32H,7-8,11-14,17-19H2,1-3H3,(H2,31,33);3-8,17-18,21H,9-16,19H2,1-2H3,(H2,30,31);1-15,23H,16-19H2,(H2,27,28);3-8H,1-2H3,(H2,19,21);4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyABARUTLJSDUEGN-UHFFFAOYSA-N
XLogP13.69
TPSA401.00 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002074.76
LogP ≤ 513.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one with MolForge

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Related Compounds

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(1-phenylethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
CID 157346888
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
CID 158710219
3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
CID 159739739
4-[(1-acetylpiperidin-4-yl)methyl]-13-methoxy-2-methyl-7-phenyl-4,6,8,21-tetrazatetracyclo[14.3.1.12,5.010,15]henicosa-1(19),5,10(15),11,13,16(20),17-heptaen-3-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-5,5-diphenyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
CID 161879384
N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one;2-amino-5-cyclopropyl-3-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-5-phenylimidazol-4-one;1-[[4-[(2-amino-4,4-dimethyl-5-oxoimidazol-1-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)urea
CID 161910087
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one;2-amino-3-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 162183291

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one (CID 157058533) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(=O)N5CCOCC5)c4)c3)N=C2N)CC1.CCC1(c2cccc(Br)c2)N=C(N)N(C)C1=O.CN1C(=O)C(C)(c2cccc(-c3cc(F)cnc3Cl)c2)N=C1N.COc1ccc(CNCC2CC2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
The InChIKey is ABARUTLJSDUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3.C29H35N5O4.C26H26N4O.C16H14ClFN4O.C12H14BrN3O/c1-20(36)34-13-11-22(12-14-34)19-35-28(37)30(2,33-29(35)31)25-6-4-5-23(15-25)27-16-26(38-3)10-9-24(27)18-32-17-21-7-8-21;1-20(35)32-11-9-21(10-12-32)19-34-27(37)29(2,31-28(34)30)25-8-4-6-23(18-25)22-5-3-7-24(17-22)26(36)33-13-15-38-16-14-33;27-25-28-26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24(31)30(25)23-16-17-29(19-23)18-20-10-4-1-5-11-20;1-16(14(23)22(2)15(19)21-16)10-5-3-4-9(6-10)12-7-11(18)8-20-13(12)17;1-3-12(8-5-4-6-9(13)7-8)10(17)16(2)11(14)15-12/h4-6,9-10,15-16,21-22,32H,7-8,11-14,17-19H2,1-3H3,(H2,31,33);3-8,17-18,21H,9-16,19H2,1-2H3,(H2,30,31);1-15,23H,16-19H2,(H2,27,28);3-8H,1-2H3,(H2,19,21);4-7H,3H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one has a molecular weight of 2074.76 g/mol, XLogP of 13.69, 23 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]imidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;2-amino-5-(3-bromophenyl)-5-ethyl-3-methylimidazol-4-one;2-amino-5-[3-(2-chloro-5-fluoro-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 157058533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).