3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one

C112H133BrCl2FN21O7 — CID 158237248

About 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one

3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one (PubChem CID 158237248) has the molecular formula C112H133BrCl2FN21O7 and a molecular weight of 2055.24 g/mol. Its IUPAC name is 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one.

Molecular Properties

• Compound Name: 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one
• PubChem CID: 158237248
• Molecular Formula: C112H133BrCl2FN21O7
• Molecular Weight: 2055.24 g/mol
• Exact Mass: 2051.92
• IUPAC Name: 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one
• SMILES: CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(Br)c3)N=C2N)c1.CN1C(=O)C(C)(c2cc(-c3cccnc3)ccc2F)N=C1N.CN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3ccc4ccccc4c3)c2)N=C1N.CN1C(=O)[C@@](C)([C@@H]2CCCN(c3cccc(Cl)c3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCCc3ccccc3)C2)N=C1N
• InChI: InChI=1S/C29H26ClN5O2.C27H42N4O.C24H29BrN4O2.C16H21ClN4O.C16H15FN4O/c1-29(26(36)35(2)27(31)34-29)22-9-5-8-20(14-22)25-16-23(30)12-10-21(25)17-32-28(37)33-24-13-11-18-6-3-4-7-19(18)15-24;1-31-25(32)27(30-26(31)28,17-15-21-9-4-2-5-10-21)20-23-13-8-14-24(19-23)29-18-16-22-11-6-3-7-12-22;1-4-12-28(13-5-2)21(30)18-9-6-8-17(14-18)16-29-22(31)24(3,27-23(29)26)19-10-7-11-20(25)15-19;1-16(14(22)20(2)15(18)19-16)11-5-4-8-21(10-11)13-7-3-6-12(17)9-13;1-16(14(22)21(2)15(18)20-16)12-8-10(5-6-13(12)17)11-4-3-7-19-9-11/h3-16H,17H2,1-2H3,(H2,31,34)(H2,32,33,37);3,6-7,11-12,21,23-24,29H,2,4-5,8-10,13-20H2,1H3,(H2,28,30);6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,27);3,6-7,9,11H,4-5,8,10H2,1-2H3,(H2,18,19);3-9H,1-2H3,(H2,18,20)/t;23-,24-,27+;;11-,16-;/m.0.1./s1
• InChIKey: GFCOSBDBOXAWGA-IWDCQGNPSA-N
• XLogP: 18.41
• TPSA: 383.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.24
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one?

The IUPAC name of 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one (CID 158237248) is 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one.

What is the SMILES notation for 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one?

The canonical SMILES for 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one is CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(Br)c3)N=C2N)c1.CN1C(=O)C(C)(c2cc(-c3cccnc3)ccc2F)N=C1N.CN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3ccc4ccccc4c3)c2)N=C1N.CN1C(=O)[C@@](C)([C@@H]2CCCN(c3cccc(Cl)c3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCCc3ccccc3)C2)N=C1N.

What is the InChIKey of 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one?

The InChIKey is GFCOSBDBOXAWGA-IWDCQGNPSA-N. The full InChI is InChI=1S/C29H26ClN5O2.C27H42N4O.C24H29BrN4O2.C16H21ClN4O.C16H15FN4O/c1-29(26(36)35(2)27(31)34-29)22-9-5-8-20(14-22)25-16-23(30)12-10-21(25)17-32-28(37)33-24-13-11-18-6-3-4-7-19(18)15-24;1-31-25(32)27(30-26(31)28,17-15-21-9-4-2-5-10-21)20-23-13-8-14-24(19-23)29-18-16-22-11-6-3-7-12-22;1-4-12-28(13-5-2)21(30)18-9-6-8-17(14-18)16-29-22(31)24(3,27-23(29)26)19-10-7-11-20(25)15-19;1-16(14(22)20(2)15(18)19-16)11-5-4-8-21(10-11)13-7-3-6-12(17)9-13;1-16(14(22)21(2)15(18)20-16)12-8-10(5-6-13(12)17)11-4-3-7-19-9-11/h3-16H,17H2,1-2H3,(H2,31,34)(H2,32,33,37);3,6-7,11-12,21,23-24,29H,2,4-5,8-10,13-20H2,1H3,(H2,28,30);6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,27);3,6-7,9,11H,4-5,8,10H2,1-2H3,(H2,18,19);3-9H,1-2H3,(H2,18,20)/t;23-,24-,27+;;11-,16-;/m.0.1./s1.

What are the key properties of 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one?

3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one has a molecular weight of 2055.24 g/mol, XLogP of 18.41, 26 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-naphthalen-2-ylurea;2-amino-5-(2-fluoro-5-pyridin-3-ylphenyl)-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 158237248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).