2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one

C₄₂H₅₅ClN₈O₂ — CID 158233895

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-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-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one (PubChem CID 158233895) has the molecular formula C₄₂H₅₅ClN₈O₂ and a molecular weight of 739.41 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

• Compound Name: 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
• PubChem CID: 158233895
• Molecular Formula: C₄₂H₅₅ClN₈O₂
• Molecular Weight: 739.41 g/mol
• Exact Mass: 738.41
• IUPAC Name: 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
• SMILES: 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
• InChI: InChI=1S/C25H39N5O.C17H16ClN3O/c1-30-23(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;1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29);3-10H,1-2H3,(H2,19,20)/t21-,22+,25+;/m0./s1
• InChIKey: GESJTQDDUBVVQF-SKASSBGPSA-N
• XLogP: 7.01
• TPSA: 142.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.41
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one (CID 158233895) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one.

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

The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one is 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.

What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one?

The InChIKey is GESJTQDDUBVVQF-SKASSBGPSA-N. The full InChI is InChI=1S/C25H39N5O.C17H16ClN3O/c1-30-23(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;1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h11-12,14-15,19,21-22,28H,2-10,13,16-18H2,1H3,(H2,26,29);3-10H,1-2H3,(H2,19,20)/t21-,22+,25+;/m0./s1.

What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-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-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one has a molecular weight of 739.41 g/mol, XLogP of 7.01, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 158233895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158233895 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.