3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one

C129H130FN19O11 — CID 157349520

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4ccccc4Oc4ccccc4)c3)N=C2N)CC1.CCCC[C@]1([C@@H]2CCCN(C(=O)c3ccncc3)C2)N=C(N)N(C)C1=O.COc1cccc(-c2cc(F)cc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CC2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C30H32N4O3.C30H25N3O2.C27H26N4O2.C23H20FN3O2.C19H27N5O2/c1-21(35)33-17-15-22(16-18-33)20-34-28(36)30(2,32-29(34)31)24-10-8-9-23(19-24)26-13-6-7-14-27(26)37-25-11-4-3-5-12-25;31-29-32-30(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28(35)33(29)21-23-12-10-11-22(19-23)20-27(34)24-13-4-1-5-14-24;28-26-30-27(22-10-3-1-4-11-22,23-12-5-2-6-13-23)25(33)31(26)18-20-8-7-9-21(16-20)24(32)29-17-19-14-15-19;1-27-21(28)23(26-22(27)25,17-8-4-3-5-9-17)18-11-16(12-19(24)14-18)15-7-6-10-20(13-15)29-2;1-3-4-9-19(17(26)23(2)18(20)22-19)15-6-5-12-24(13-15)16(25)14-7-10-21-11-8-14/h3-14,19,22H,15-18,20H2,1-2H3,(H2,31,32);1-19H,20-21H2,(H2,31,32);1-13,16,19H,14-15,17-18H2,(H2,28,30)(H,29,32);3-14H,1-2H3,(H2,25,26);7-8,10-11,15H,3-6,9,12-13H2,1-2H3,(H2,20,22)/t;;;;15-,19-/m....1/s1
InChIKeyBHJCSLHYMLHJNK-NSLVJRRPSA-N
MW2141.58 g/mol
LogP18.10
Rot. Bonds29

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one (PubChem CID 157349520) has the molecular formula C129H130FN19O11 and a molecular weight of 2141.58 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one
PubChem CID157349520
Molecular FormulaC129H130FN19O11
Molecular Weight2141.58 g/mol
Exact Mass2140.02
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4ccccc4Oc4ccccc4)c3)N=C2N)CC1.CCCC[C@]1([C@@H]2CCCN(C(=O)c3ccncc3)C2)N=C(N)N(C)C1=O.COc1cccc(-c2cc(F)cc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CC2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2ccccc2)c1
InChIInChI=1S/C30H32N4O3.C30H25N3O2.C27H26N4O2.C23H20FN3O2.C19H27N5O2/c1-21(35)33-17-15-22(16-18-33)20-34-28(36)30(2,32-29(34)31)24-10-8-9-23(19-24)26-13-6-7-14-27(26)37-25-11-4-3-5-12-25;31-29-32-30(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28(35)33(29)21-23-12-10-11-22(19-23)20-27(34)24-13-4-1-5-14-24;28-26-30-27(22-10-3-1-4-11-22,23-12-5-2-6-13-23)25(33)31(26)18-20-8-7-9-21(16-20)24(32)29-17-19-14-15-19;1-27-21(28)23(26-22(27)25,17-8-4-3-5-9-17)18-11-16(12-19(24)14-18)15-7-6-10-20(13-15)29-2;1-3-4-9-19(17(26)23(2)18(20)22-19)15-6-5-12-24(13-15)16(25)14-7-10-21-11-8-14/h3-14,19,22H,15-18,20H2,1-2H3,(H2,31,32);1-19H,20-21H2,(H2,31,32);1-13,16,19H,14-15,17-18H2,(H2,28,30)(H,29,32);3-14H,1-2H3,(H2,25,26);7-8,10-11,15H,3-6,9,12-13H2,1-2H3,(H2,20,22)/t;;;;15-,19-/m....1/s1
InChIKeyBHJCSLHYMLHJNK-NSLVJRRPSA-N
XLogP18.10
TPSA411.59 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.58
LogP ≤ 518.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one (CID 157349520) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4ccccc4Oc4ccccc4)c3)N=C2N)CC1.CCCC[C@]1([C@@H]2CCCN(C(=O)c3ccncc3)C2)N=C(N)N(C)C1=O.COc1cccc(-c2cc(F)cc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CC2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2ccccc2)c1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is BHJCSLHYMLHJNK-NSLVJRRPSA-N. The full InChI is InChI=1S/C30H32N4O3.C30H25N3O2.C27H26N4O2.C23H20FN3O2.C19H27N5O2/c1-21(35)33-17-15-22(16-18-33)20-34-28(36)30(2,32-29(34)31)24-10-8-9-23(19-24)26-13-6-7-14-27(26)37-25-11-4-3-5-12-25;31-29-32-30(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28(35)33(29)21-23-12-10-11-22(19-23)20-27(34)24-13-4-1-5-14-24;28-26-30-27(22-10-3-1-4-11-22,23-12-5-2-6-13-23)25(33)31(26)18-20-8-7-9-21(16-20)24(32)29-17-19-14-15-19;1-27-21(28)23(26-22(27)25,17-8-4-3-5-9-17)18-11-16(12-19(24)14-18)15-7-6-10-20(13-15)29-2;1-3-4-9-19(17(26)23(2)18(20)22-19)15-6-5-12-24(13-15)16(25)14-7-10-21-11-8-14/h3-14,19,22H,15-18,20H2,1-2H3,(H2,31,32);1-19H,20-21H2,(H2,31,32);1-13,16,19H,14-15,17-18H2,(H2,28,30)(H,29,32);3-14H,1-2H3,(H2,25,26);7-8,10-11,15H,3-6,9,12-13H2,1-2H3,(H2,20,22)/t;;;;15-,19-/m....1/s1.
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 2141.58 g/mol, XLogP of 18.10, 29 rotatable bonds, 6 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-methyl-5-[3-(2-phenoxyphenyl)phenyl]imidazol-4-one;(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]imidazol-4-one;2-amino-5-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclopropylmethyl)benzamide;2-amino-3-[(3-phenacylphenyl)methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 157349520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).