(5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one

C117H166ClN21O7 — CID 161393424

About (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one

(5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one (PubChem CID 161393424) has the molecular formula C117H166ClN21O7 and a molecular weight of 2014.21 g/mol. Its IUPAC name is (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one.

Molecular Properties

• Compound Name: (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one
• PubChem CID: 161393424
• Molecular Formula: C117H166ClN21O7
• Molecular Weight: 2014.21 g/mol
• Exact Mass: 2012.30
• IUPAC Name: (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one
• SMILES: CCCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(N)=N1.CN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3ccncc3)C2)N=C1N.CN1C(=O)[C@](CCC2CCCCC2)(C[C@H]2CCN(C(=O)CC3CCCC3)C2)N=C1N.COc1cccc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1
• InChI: InChI=1S/C33H52N6O.C25H39N5O.C24H40N4O2.C18H19N3O2.C17H16ClN3O/c1-2-3-14-29-24-38(31(34)36-29)22-27-15-17-28(18-16-27)23-39-30(40)33(37-32(39)35,21-26-12-8-5-9-13-26)20-19-25-10-6-4-7-11-25;1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20;1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19;1-18(16(22)21(2)17(19)20-18)14-8-4-6-12(10-14)13-7-5-9-15(11-13)23-3;1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h15-18,25-26,29H,2-14,19-24H2,1H3,(H2,34,36)(H2,35,37);11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29);18-20H,2-17H2,1H3,(H2,25,26);4-11H,1-3H3,(H2,19,20);3-10H,1-2H3,(H2,19,20)/t29-,33+;21-,22+,25+;20-,24+;;/m001../s1
• InChIKey: VTHBOPXMNKBEDC-FWESAPFYSA-N
• XLogP: 19.17
• TPSA: 389.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2014.21
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one?

The IUPAC name of (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one (CID 161393424) is (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one.

What is the SMILES notation for (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one?

The canonical SMILES for (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one is CCCC[C@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(N)=N1.CN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3ccncc3)C2)N=C1N.CN1C(=O)[C@](CCC2CCCCC2)(C[C@H]2CCN(C(=O)CC3CCCC3)C2)N=C1N.COc1cccc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.

What is the InChIKey of (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one?

The InChIKey is VTHBOPXMNKBEDC-FWESAPFYSA-N. The full InChI is InChI=1S/C33H52N6O.C25H39N5O.C24H40N4O2.C18H19N3O2.C17H16ClN3O/c1-2-3-14-29-24-38(31(34)36-29)22-27-15-17-28(18-16-27)23-39-30(40)33(37-32(39)35,21-26-12-8-5-9-13-26)20-19-25-10-6-4-7-11-25;1-30-23(31)25(29-24(30)26,13-10-19-6-3-2-4-7-19)17-21-8-5-9-22(16-21)28-18-20-11-14-27-15-12-20;1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19;1-18(16(22)21(2)17(19)20-18)14-8-4-6-12(10-14)13-7-5-9-15(11-13)23-3;1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h15-18,25-26,29H,2-14,19-24H2,1H3,(H2,34,36)(H2,35,37);11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29);18-20H,2-17H2,1H3,(H2,25,26);4-11H,1-3H3,(H2,19,20);3-10H,1-2H3,(H2,19,20)/t29-,33+;21-,22+,25+;20-,24+;;/m001../s1.

What are the key properties of (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one?

(5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one has a molecular weight of 2014.21 g/mol, XLogP of 19.17, 32 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-amino-3-[[4-[[(4S)-2-amino-4-butyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 161393424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).