2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane

C90H131BrFN11O7 — CID 161156986

IUPAC2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane
SMILESC.C.NC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.NC1=NC(CCC2CCCCC2)(c2cccc(Br)c2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C32H48N4O3.C31H39BrN4O3.C25H36FN3O.2CH4/c33-31-34-32(22-26-12-6-2-7-13-26,19-16-25-10-4-1-5-11-25)30(38)36(31)23-27-17-20-35(21-18-27)29(37)24-39-28-14-8-3-9-15-28;32-26-11-7-10-25(20-26)31(17-14-23-8-3-1-4-9-23)29(38)36(30(33)34-31)21-24-15-18-35(19-16-24)28(37)22-39-27-12-5-2-6-13-27;26-22-13-11-21(12-14-22)18-29-23(30)25(28-24(29)27,17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19;;/h3,8-9,14-15,25-27H,1-2,4-7,10-13,16-24H2,(H2,33,34);2,5-7,10-13,20,23-24H,1,3-4,8-9,14-19,21-22H2,(H2,33,34);11-14,19-20H,1-10,15-18H2,(H2,27,28);2*1H4/t;;25-;;/m..1../s1
InChIKeyUPKPNVTUELMGRI-NVMYNABDSA-N
MW1578.01 g/mol
LogP17.83
Rot. Bonds26

About 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane

2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane (PubChem CID 161156986) has the molecular formula C90H131BrFN11O7 and a molecular weight of 1578.01 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane
PubChem CID161156986
Molecular FormulaC90H131BrFN11O7
Molecular Weight1578.01 g/mol
Exact Mass1575.94
IUPAC Name2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane
SMILESC.C.NC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.NC1=NC(CCC2CCCCC2)(c2cccc(Br)c2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C32H48N4O3.C31H39BrN4O3.C25H36FN3O.2CH4/c33-31-34-32(22-26-12-6-2-7-13-26,19-16-25-10-4-1-5-11-25)30(38)36(31)23-27-17-20-35(21-18-27)29(37)24-39-28-14-8-3-9-15-28;32-26-11-7-10-25(20-26)31(17-14-23-8-3-1-4-9-23)29(38)36(30(33)34-31)21-24-15-18-35(19-16-24)28(37)22-39-27-12-5-2-6-13-27;26-22-13-11-21(12-14-22)18-29-23(30)25(28-24(29)27,17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19;;/h3,8-9,14-15,25-27H,1-2,4-7,10-13,16-24H2,(H2,33,34);2,5-7,10-13,20,23-24H,1,3-4,8-9,14-19,21-22H2,(H2,33,34);11-14,19-20H,1-10,15-18H2,(H2,27,28);2*1H4/t;;25-;;/m..1../s1
InChIKeyUPKPNVTUELMGRI-NVMYNABDSA-N
XLogP17.83
TPSA235.15 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001578.01
LogP ≤ 517.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane with MolForge

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Related Compounds

2-amino-5-butyl-5-[3-(3-methoxyphenyl)phenyl]-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262565
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(3,5-dichlorophenyl)methyl]imidazol-4-one
CID 76581120
2-amino-5-(2-cyclopropylethyl)-5-(3-fluorophenyl)-3-[[4-(trifluoromethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]imidazol-4-one
CID 135155694
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 95809413
2-(3-bromophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9077805
(5R)-2-amino-3-[(4-chloro-2-methylphenyl)methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one
CID 89129037
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[2-(2-hydroxyethoxy)ethyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-oxidopyridin-1-ium-4-carboxamide;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl]imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 161296509
2-amino-5-butyl-5-(cyclohexylmethyl)-3-[[4-(methylaminomethyl)phenyl]methyl]imidazol-4-one
CID 118926007
2-amino-5-butyl-5-(cyclohexylmethyl)-3-[[4-[3-oxo-7-(2-oxopyrrolidin-1-yl)heptyl]phenyl]methyl]imidazol-4-one
CID 58425391
2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
CID 25006053
2-amino-5-butyl-5-[3-(3-methoxyphenyl)phenyl]-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazolidin-4-one
CID 143244359

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane?
The IUPAC name of 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane (CID 161156986) is 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane?
The canonical SMILES for 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane is C.C.NC1=NC(CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.NC1=NC(CCC2CCCCC2)(c2cccc(Br)c2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane?
The InChIKey is UPKPNVTUELMGRI-NVMYNABDSA-N. The full InChI is InChI=1S/C32H48N4O3.C31H39BrN4O3.C25H36FN3O.2CH4/c33-31-34-32(22-26-12-6-2-7-13-26,19-16-25-10-4-1-5-11-25)30(38)36(31)23-27-17-20-35(21-18-27)29(37)24-39-28-14-8-3-9-15-28;32-26-11-7-10-25(20-26)31(17-14-23-8-3-1-4-9-23)29(38)36(30(33)34-31)21-24-15-18-35(19-16-24)28(37)22-39-27-12-5-2-6-13-27;26-22-13-11-21(12-14-22)18-29-23(30)25(28-24(29)27,17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19;;/h3,8-9,14-15,25-27H,1-2,4-7,10-13,16-24H2,(H2,33,34);2,5-7,10-13,20,23-24H,1,3-4,8-9,14-19,21-22H2,(H2,33,34);11-14,19-20H,1-10,15-18H2,(H2,27,28);2*1H4/t;;25-;;/m..1../s1.
What are the key properties of 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane?
2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane has a molecular weight of 1578.01 g/mol, XLogP of 17.83, 26 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromophenyl)-5-(2-cyclohexylethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]imidazol-4-one;2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]imidazol-4-one;methane is sourced from PubChem (CID 161156986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).