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

IUPAC2-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
SMILESCN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3ccncc3)C2)N=C1N
InChIInChI=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
InChIKeyGESJTQDDUBVVQF-SKASSBGPSA-N
MW739.41 g/mol
LogP7.01
Rot. Bonds10

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 Name2-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 CID158233895
Molecular FormulaC42H55ClN8O2
Molecular Weight739.41 g/mol
Exact Mass738.41
IUPAC Name2-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
SMILESCN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCc3ccncc3)C2)N=C1N
InChIInChI=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
InChIKeyGESJTQDDUBVVQF-SKASSBGPSA-N
XLogP7.01
TPSA142.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.41
LogP ≤ 57.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(2e,5r)-5-[3-(5-Chloropyridin-3-Yl)phenyl]-5-Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One
CID 59388465
(2S,3S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(4-phenylphenyl)butanamide
CID 57401143
5-(3-(5-Chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4one
CID 11566309
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one
CID 59262346
2-Amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 59262417
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-3-ylimidazol-4-one
CID 59262424
2-Amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 76332087
US10807959, Example 24
CID 146370758
2-amino-N-((R)-3-(4-chlorophenyl)-1-oxo-1-(4-(1-((2-phenylacetamido)methyl)cyclohexyl)piperazin-1-yl)propan-2-yl)-3-(pyridin-4-yl)propanamide
CID 44405377
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one
CID 25063685
2-Amino-3-cyclohexyl-5-phenyl-5-(3-pyridin-4-ylphenyl)imidazol-4-one
CID 86272645
US10807959, Example B87
CID 146370726

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).