2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine

C66H74F3N11O4 — CID 159520378

IUPAC2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
SMILESCN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](CC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1CC(C)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.COc1ccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)cn1
InChIInChI=1S/C31H36N4O2.C18H18F3N3O.C17H20N4O/c1-35-29(37)31(34-30(35)32,17-16-22-8-3-2-4-9-22)21-24-11-7-10-23(18-24)19-28(36)33-27-15-14-25-12-5-6-13-26(25)20-27;1-17(11-24(2)16(22)23-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)25-18(19,20)21;1-17(11-21(2)16(18)20-17)14-6-4-5-12(9-14)13-7-8-15(22-3)19-10-13/h2-6,8-9,12-15,20,23-24H,7,10-11,16-19,21H2,1H3,(H2,32,34)(H,33,36);3-10H,11H2,1-2H3,(H2,22,23);4-10H,11H2,1-3H3,(H2,18,20)/t23-,24+,31-;;/m1../s1
InChIKeyMBSLXXOCHGUIAJ-KEKRLGDISA-N
MW1142.38 g/mol
LogP11.48
Rot. Bonds14

About 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine

2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine (PubChem CID 159520378) has the molecular formula C66H74F3N11O4 and a molecular weight of 1142.38 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
PubChem CID159520378
Molecular FormulaC66H74F3N11O4
Molecular Weight1142.38 g/mol
Exact Mass1141.59
IUPAC Name2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine
SMILESCN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](CC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1CC(C)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.COc1ccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)cn1
InChIInChI=1S/C31H36N4O2.C18H18F3N3O.C17H20N4O/c1-35-29(37)31(34-30(35)32,17-16-22-8-3-2-4-9-22)21-24-11-7-10-23(18-24)19-28(36)33-27-15-14-25-12-5-6-13-26(25)20-27;1-17(11-24(2)16(22)23-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)25-18(19,20)21;1-17(11-21(2)16(18)20-17)14-6-4-5-12(9-14)13-7-8-15(22-3)19-10-13/h2-6,8-9,12-15,20,23-24H,7,10-11,16-19,21H2,1H3,(H2,32,34)(H,33,36);3-10H,11H2,1-2H3,(H2,22,23);4-10H,11H2,1-3H3,(H2,18,20)/t23-,24+,31-;;/m1../s1
InChIKeyMBSLXXOCHGUIAJ-KEKRLGDISA-N
XLogP11.48
TPSA202.38 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001142.38
LogP ≤ 511.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide
CID 58425054
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(cyclopropylmethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;2-amino-5-[3-(3-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 158253511
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one
CID 58425320
(5R)-2-amino-5-[[(1S)-3-(cyclohexylamino)cyclohexyl]methyl]-3-methyl-5-(2-phenylethyl)imidazol-4-one
CID 70141482
3-[(3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methyl-N-naphthalen-2-ylbutanamide
CID 163532654
(5R)-2-amino-5-[[(1S,3R)-3-(cyclohexylamino)cyclohexyl]methyl]-5-(2-cyclohexylethyl)-3-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 158816037
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 59262469
N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide
CID 118911609
2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-(2-phenylethyl)cyclohexyl]methyl]imidazol-4-one
CID 58425304
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 161120470
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(2-phenylethylamino)cyclohexyl]methyl]imidazol-4-one
CID 59386834

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
The IUPAC name of 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine (CID 159520378) is 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine.
What is the SMILES notation for 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
The canonical SMILES for 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine is CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@@H](CC(=O)Nc3ccc4ccccc4c3)C2)N=C1N.CN1CC(C)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.COc1ccc(-c2cccc(C3(C)CN(C)C(N)=N3)c2)cn1.
What is the InChIKey of 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
The InChIKey is MBSLXXOCHGUIAJ-KEKRLGDISA-N. The full InChI is InChI=1S/C31H36N4O2.C18H18F3N3O.C17H20N4O/c1-35-29(37)31(34-30(35)32,17-16-22-8-3-2-4-9-22)21-24-11-7-10-23(18-24)19-28(36)33-27-15-14-25-12-5-6-13-26(25)20-27;1-17(11-24(2)16(22)23-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)25-18(19,20)21;1-17(11-21(2)16(18)20-17)14-6-4-5-12(9-14)13-7-8-15(22-3)19-10-13/h2-6,8-9,12-15,20,23-24H,7,10-11,16-19,21H2,1H3,(H2,32,34)(H,33,36);3-10H,11H2,1-2H3,(H2,22,23);4-10H,11H2,1-3H3,(H2,18,20)/t23-,24+,31-;;/m1../s1.
What are the key properties of 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine?
2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine has a molecular weight of 1142.38 g/mol, XLogP of 11.48, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide;3,5-dimethyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]-4H-imidazol-2-amine;5-[3-(6-methoxy-3-pyridinyl)phenyl]-3,5-dimethyl-4H-imidazol-2-amine is sourced from PubChem (CID 159520378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).