2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile

C98H121ClN18O4 — CID 158140446

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2ccccn2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCCc3c[nH]c4ccccc34)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCCc3c[nH]c4ccccc34)C2)N=C1N
InChIInChI=1S/2C29H43N5O.C21H17ClN4O.C19H18N4O/c2*1-34-27(35)29(33-28(34)30,16-14-21-8-3-2-4-9-21)19-22-10-7-11-24(18-22)31-17-15-23-20-32-26-13-6-5-12-25(23)26;1-26-19(27)21(25-20(26)23,18-10-2-3-11-24-18)16-8-4-6-14(12-16)15-7-5-9-17(22)13-15;1-19(11-17(24)23(2)18(21)22-19)16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-20/h2*5-6,12-13,20-22,24,31-32H,2-4,7-11,14-19H2,1H3,(H2,30,33);2-13H,1H3,(H2,23,25);3-10H,11H2,1-2H3,(H2,21,22)/t22-,24+,29+;22-,24-,29+;;19-/m00.0/s1
InChIKeyFTWHQISHTXXVOM-OLUKQYBNSA-N
MW1650.62 g/mol
LogP16.32
Rot. Bonds23

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile (PubChem CID 158140446) has the molecular formula C98H121ClN18O4 and a molecular weight of 1650.62 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile
PubChem CID158140446
Molecular FormulaC98H121ClN18O4
Molecular Weight1650.62 g/mol
Exact Mass1648.95
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2ccccn2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCCc3c[nH]c4ccccc34)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCCc3c[nH]c4ccccc34)C2)N=C1N
InChIInChI=1S/2C29H43N5O.C21H17ClN4O.C19H18N4O/c2*1-34-27(35)29(33-28(34)30,16-14-21-8-3-2-4-9-21)19-22-10-7-11-24(18-22)31-17-15-23-20-32-26-13-6-5-12-25(23)26;1-26-19(27)21(25-20(26)23,18-10-2-3-11-24-18)16-8-4-6-14(12-16)15-7-5-9-17(22)13-15;1-19(11-17(24)23(2)18(21)22-19)16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-20/h2*5-6,12-13,20-22,24,31-32H,2-4,7-11,14-19H2,1H3,(H2,30,33);2-13H,1H3,(H2,23,25);3-10H,11H2,1-2H3,(H2,21,22)/t22-,24+,29+;22-,24-,29+;;19-/m00.0/s1
InChIKeyFTWHQISHTXXVOM-OLUKQYBNSA-N
XLogP16.32
TPSA327.08 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001650.62
LogP ≤ 516.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile with MolForge

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Related Compounds

(5R)-3-[2-(3-chlorophenyl)-4-(4-phenyl-1-piperidyl)butyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 489331
(3S,11S,14S,17S,20R,23S,25R)-3-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-20-benzyl-25-[(3-chlorophenyl)methyl]-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
CID 88590710
(5S)-3-[2-(3-chlorophenyl)-4-(4-phenyl-1-piperidyl)butyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 489475
(3R,11R,14R,17R,20S,23R,25S)-3-[[(2R)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-20-benzyl-25-[(3-chlorophenyl)methyl]-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
CID 134153231
3-acetamido-N-[(2-chlorophenyl)methyl]-2-(5-cyano-1H-indol-3-yl)-3-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propanamide
CID 67670219
2-acetamido-N-[(2-chlorophenyl)methyl]-3-(5-cyano-1H-indol-3-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propanamide
CID 67670221
3-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-20-benzyl-25-[(3-chlorophenyl)methyl]-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
CID 91082964
(3S,11S,14S,17S,23S,25R)-3-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-20-benzyl-25-[(3-chlorophenyl)methyl]-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
CID 132019038
(2R,10S,13S,16S,19R,22S,24R)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-19-benzyl-24-[(4-chlorophenyl)methyl]-16-[3-(diaminomethylideneamino)propyl]-13-(1H-indol-3-ylmethyl)-4,12,15,18,21-pentaoxo-1,5,11,14,17,20-hexazabicyclo[20.3.0]pentacosane-10-carboxamide
CID 139326997
(3S,11S,14S,17S,20R,23S)-3-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-20-benzyl-25-[(3-chlorophenyl)methyl]-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide
CID 139326998
N(1)Ala-Trp-Nle-Trp-N(Me)Ala-Sar-N(Me)Ala-N(Me)Phe(3-Cl)-Sar-Pro-Asp(1)-piperidide
CID 155606002
(5R)-2-amino-3-[[4-[[(4S)-4-butyl-2-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-4-ylmethylamino)cyclohexyl]methyl]imidazol-4-one
CID 157071394

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile (CID 158140446) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile is CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2ccccn2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NCCc3c[nH]c4ccccc34)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@H](NCCc3c[nH]c4ccccc34)C2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile?
The InChIKey is FTWHQISHTXXVOM-OLUKQYBNSA-N. The full InChI is InChI=1S/2C29H43N5O.C21H17ClN4O.C19H18N4O/c2*1-34-27(35)29(33-28(34)30,16-14-21-8-3-2-4-9-21)19-22-10-7-11-24(18-22)31-17-15-23-20-32-26-13-6-5-12-25(23)26;1-26-19(27)21(25-20(26)23,18-10-2-3-11-24-18)16-8-4-6-14(12-16)15-7-5-9-17(22)13-15;1-19(11-17(24)23(2)18(21)22-19)16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-20/h2*5-6,12-13,20-22,24,31-32H,2-4,7-11,14-19H2,1H3,(H2,30,33);2-13H,1H3,(H2,23,25);3-10H,11H2,1-2H3,(H2,21,22)/t22-,24+,29+;22-,24-,29+;;19-/m00.0/s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile has a molecular weight of 1650.62 g/mol, XLogP of 16.32, 23 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3S)-3-[2-(1H-indol-3-yl)ethylamino]cyclohexyl]methyl]-3-methylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 158140446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).