2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile

C69H86ClN13O4S — CID 158314120

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
SMILESCC(C)C[C@H](CO)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CC[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3nc4ccccc4n3C)C2)N=C1N
InChIInChI=1S/C27H40N6O.C24H28ClN3O2.C18H18N4OS/c1-32-23-14-7-6-13-22(23)30-26(32)29-21-12-8-11-20(17-21)18-27(24(34)33(2)25(28)31-27)16-15-19-9-4-3-5-10-19;1-15(2)11-21(14-29)28-22(30)24(18-9-10-18,27-23(28)26)19-7-3-5-16(12-19)17-6-4-8-20(25)13-17;1-3-18(9-16(23)22(2)17(20)21-18)15-8-14(11-24-15)13-6-4-5-12(7-13)10-19/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H,29,30);3-8,12-13,15,18,21,29H,9-11,14H2,1-2H3,(H2,26,27);4-8,11H,3,9H2,1-2H3,(H2,20,21)/t20-,21+,27+;21-,24?;18-/m010/s1
InChIKeyGOAUGIHHFVRWOC-QPOCIBHYSA-N
MW1229.05 g/mol
LogP12.07
Rot. Bonds17

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile (PubChem CID 158314120) has the molecular formula C69H86ClN13O4S and a molecular weight of 1229.05 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
PubChem CID158314120
Molecular FormulaC69H86ClN13O4S
Molecular Weight1229.05 g/mol
Exact Mass1227.63
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
SMILESCC(C)C[C@H](CO)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CC[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3nc4ccccc4n3C)C2)N=C1N
InChIInChI=1S/C27H40N6O.C24H28ClN3O2.C18H18N4OS/c1-32-23-14-7-6-13-22(23)30-26(32)29-21-12-8-11-20(17-21)18-27(24(34)33(2)25(28)31-27)16-15-19-9-4-3-5-10-19;1-15(2)11-21(14-29)28-22(30)24(18-9-10-18,27-23(28)26)19-7-3-5-16(12-19)17-6-4-8-20(25)13-17;1-3-18(9-16(23)22(2)17(20)21-18)15-8-14(11-24-15)13-6-4-5-12(7-13)10-19/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H,29,30);3-8,12-13,15,18,21,29H,9-11,14H2,1-2H3,(H2,26,27);4-8,11H,3,9H2,1-2H3,(H2,20,21)/t20-,21+,27+;21-,24?;18-/m010/s1
InChIKeyGOAUGIHHFVRWOC-QPOCIBHYSA-N
XLogP12.07
TPSA249.94 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.05
LogP ≤ 512.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile with MolForge

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Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(1-hydroxy-3-methylbutan-2-yl)imidazol-4-one;2-amino-5-cyclopropyl-5-[4-(1H-indol-5-yl)thiophen-2-yl]-3-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-propyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-propyl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-thiophen-2-yl-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 158322567
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile
CID 162103531

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile (CID 158314120) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile is CC(C)C[C@H](CO)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CC[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3nc4ccccc4n3C)C2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
The InChIKey is GOAUGIHHFVRWOC-QPOCIBHYSA-N. The full InChI is InChI=1S/C27H40N6O.C24H28ClN3O2.C18H18N4OS/c1-32-23-14-7-6-13-22(23)30-26(32)29-21-12-8-11-20(17-21)18-27(24(34)33(2)25(28)31-27)16-15-19-9-4-3-5-10-19;1-15(2)11-21(14-29)28-22(30)24(18-9-10-18,27-23(28)26)19-7-3-5-16(12-19)17-6-4-8-20(25)13-17;1-3-18(9-16(23)22(2)17(20)21-18)15-8-14(11-24-15)13-6-4-5-12(7-13)10-19/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H,29,30);3-8,12-13,15,18,21,29H,9-11,14H2,1-2H3,(H2,26,27);4-8,11H,3,9H2,1-2H3,(H2,20,21)/t20-,21+,27+;21-,24?;18-/m010/s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile has a molecular weight of 1229.05 g/mol, XLogP of 12.07, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;3-[5-[(4S)-2-amino-4-ethyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile is sourced from PubChem (CID 158314120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).