2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide

C126H126N20O7S — CID 161300637

IUPAC2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.CC[C@@]1(c2cc(-c3cncnc3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(Cc3ccccn3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCc1ccccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C32H28N4O2.C30H26N4O2.C25H32N4O.C24H23N3O.C15H17N5OS/c33-31-34-32(27-14-3-1-4-15-27,28-16-5-2-6-17-28)30(38)36(31)21-23-10-9-13-25(20-23)29(37)35-19-18-24-11-7-8-12-26(24)22-35;1-21(35)32-27-17-9-12-24(19-27)23-11-8-10-22(18-23)20-34-28(36)30(33-29(34)31,25-13-4-2-5-14-25)26-15-6-3-7-16-26;1-29-23(30)25(28-24(29)26,14-13-19-8-3-2-4-9-19)18-21-11-7-10-20(16-21)17-22-12-5-6-15-27-22;25-23-26-24(20-14-6-2-7-15-20,21-16-8-3-9-17-21)22(28)27(23)18-10-13-19-11-4-1-5-12-19;1-3-15(5-13(21)20(2)14(16)19-15)12-4-10(8-22-12)11-6-17-9-18-7-11/h1-17,20H,18-19,21-22H2,(H2,33,34);2-19H,20H2,1H3,(H2,31,33)(H,32,35);2-6,8-9,12,15,20-21H,7,10-11,13-14,16-18H2,1H3,(H2,26,28);1-9,11-12,14-17H,10,13,18H2,(H2,25,26);4,6-9H,3,5H2,1-2H3,(H2,16,19)/t;;20?,21-,25+;;15-/m..0.0/s1
InChIKeyVHOIRBMQJDIHFD-NAIXYGCWSA-N
MW2064.59 g/mol
LogP19.08
Rot. Bonds27

About 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide

2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide (PubChem CID 161300637) has the molecular formula C126H126N20O7S and a molecular weight of 2064.59 g/mol. Its IUPAC name is 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide
PubChem CID161300637
Molecular FormulaC126H126N20O7S
Molecular Weight2064.59 g/mol
Exact Mass2062.98
IUPAC Name2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.CC[C@@]1(c2cc(-c3cncnc3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(Cc3ccccn3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCc1ccccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C32H28N4O2.C30H26N4O2.C25H32N4O.C24H23N3O.C15H17N5OS/c33-31-34-32(27-14-3-1-4-15-27,28-16-5-2-6-17-28)30(38)36(31)21-23-10-9-13-25(20-23)29(37)35-19-18-24-11-7-8-12-26(24)22-35;1-21(35)32-27-17-9-12-24(19-27)23-11-8-10-22(18-23)20-34-28(36)30(33-29(34)31,25-13-4-2-5-14-25)26-15-6-3-7-16-26;1-29-23(30)25(28-24(29)26,14-13-19-8-3-2-4-9-19)18-21-11-7-10-20(16-21)17-22-12-5-6-15-27-22;25-23-26-24(20-14-6-2-7-15-20,21-16-8-3-9-17-21)22(28)27(23)18-10-13-19-11-4-1-5-12-19;1-3-15(5-13(21)20(2)14(16)19-15)12-4-10(8-22-12)11-6-17-9-18-7-11/h1-17,20H,18-19,21-22H2,(H2,33,34);2-19H,20H2,1H3,(H2,31,33)(H,32,35);2-6,8-9,12,15,20-21H,7,10-11,13-14,16-18H2,1H3,(H2,26,28);1-9,11-12,14-17H,10,13,18H2,(H2,25,26);4,6-9H,3,5H2,1-2H3,(H2,16,19)/t;;20?,21-,25+;;15-/m..0.0/s1
InChIKeyVHOIRBMQJDIHFD-NAIXYGCWSA-N
XLogP19.08
TPSA381.53 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002064.59
LogP ≤ 519.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide?
The IUPAC name of 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide (CID 161300637) is 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide?
The canonical SMILES for 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.CC[C@@]1(c2cc(-c3cncnc3)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCCC(Cc3ccccn3)C2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCc1ccccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide?
The InChIKey is VHOIRBMQJDIHFD-NAIXYGCWSA-N. The full InChI is InChI=1S/C32H28N4O2.C30H26N4O2.C25H32N4O.C24H23N3O.C15H17N5OS/c33-31-34-32(27-14-3-1-4-15-27,28-16-5-2-6-17-28)30(38)36(31)21-23-10-9-13-25(20-23)29(37)35-19-18-24-11-7-8-12-26(24)22-35;1-21(35)32-27-17-9-12-24(19-27)23-11-8-10-22(18-23)20-34-28(36)30(33-29(34)31,25-13-4-2-5-14-25)26-15-6-3-7-16-26;1-29-23(30)25(28-24(29)26,14-13-19-8-3-2-4-9-19)18-21-11-7-10-20(16-21)17-22-12-5-6-15-27-22;25-23-26-24(20-14-6-2-7-15-20,21-16-8-3-9-17-21)22(28)27(23)18-10-13-19-11-4-1-5-12-19;1-3-15(5-13(21)20(2)14(16)19-15)12-4-10(8-22-12)11-6-17-9-18-7-11/h1-17,20H,18-19,21-22H2,(H2,33,34);2-19H,20H2,1H3,(H2,31,33)(H,32,35);2-6,8-9,12,15,20-21H,7,10-11,13-14,16-18H2,1H3,(H2,26,28);1-9,11-12,14-17H,10,13,18H2,(H2,25,26);4,6-9H,3,5H2,1-2H3,(H2,16,19)/t;;20?,21-,25+;;15-/m..0.0/s1.
What are the key properties of 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide?
2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide has a molecular weight of 2064.59 g/mol, XLogP of 19.08, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-phenylpropyl)imidazol-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S)-3-(pyridin-2-ylmethyl)cyclohexyl]methyl]imidazol-4-one;N-[3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 161300637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).