2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

C108H115N21O11S2 — CID 158755774

IUPAC2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cncc([N+](=O)[O-])c3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(CCN)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C3CCCCC3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3c(c2)C=CS3(=O)=O)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C30H27N5O2.C24H24N4O.C23H19N5O4S.C17H30N4O.C14H15N3O3S/c31-29-34-30(24-12-3-1-4-13-24,25-14-5-2-6-15-25)28(37)35(29)21-22-10-9-11-23(20-22)27(36)33-19-17-26-16-7-8-18-32-26;1-28-22(29)24(27-23(28)26,20-10-3-2-4-11-20)21-12-6-9-19(16-21)18-8-5-7-17(15-18)13-14-25;1-23(19-9-16(12-33-19)15-8-17(28(30)31)11-25-10-15)20(21(29)27(2)22(24)26-23)14-3-4-18-13(7-14)5-6-32-18;1-17(11-15(22)20(2)16(18)19-17)13-7-6-10-21(12-13)14-8-4-3-5-9-14;1-14(8-12(18)17(2)13(15)16-14)10-3-4-11-9(7-10)5-6-21(11,19)20/h1-16,18,20H,17,19,21H2,(H2,31,34)(H,33,36);2-12,15-16H,13-14,25H2,1H3,(H2,26,27);3-12,20H,1-2H3,(H2,24,26);13-14H,3-12H2,1-2H3,(H2,18,19);3-7H,8H2,1-2H3,(H2,15,16)/t;;20?,23-;13?,17-;14-/m..100/s1
InChIKeyIOBCTUJITQMVTJ-PSGBKMRWSA-N
MW1947.38 g/mol
LogP13.59
Rot. Bonds20

About 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 158755774) has the molecular formula C108H115N21O11S2 and a molecular weight of 1947.38 g/mol. Its IUPAC name is 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID158755774
Molecular FormulaC108H115N21O11S2
Molecular Weight1947.38 g/mol
Exact Mass1945.85
IUPAC Name2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cncc([N+](=O)[O-])c3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(CCN)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C3CCCCC3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3c(c2)C=CS3(=O)=O)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C30H27N5O2.C24H24N4O.C23H19N5O4S.C17H30N4O.C14H15N3O3S/c31-29-34-30(24-12-3-1-4-13-24,25-14-5-2-6-15-25)28(37)35(29)21-22-10-9-11-23(20-22)27(36)33-19-17-26-16-7-8-18-32-26;1-28-22(29)24(27-23(28)26,20-10-3-2-4-11-20)21-12-6-9-19(16-21)18-8-5-7-17(15-18)13-14-25;1-23(19-9-16(12-33-19)15-8-17(28(30)31)11-25-10-15)20(21(29)27(2)22(24)26-23)14-3-4-18-13(7-14)5-6-32-18;1-17(11-15(22)20(2)16(18)19-17)13-7-6-10-21(12-13)14-8-4-3-5-9-14;1-14(8-12(18)17(2)13(15)16-14)10-3-4-11-9(7-10)5-6-21(11,19)20/h1-16,18,20H,17,19,21H2,(H2,31,34)(H,33,36);2-12,15-16H,13-14,25H2,1H3,(H2,26,27);3-12,20H,1-2H3,(H2,24,26);13-14H,3-12H2,1-2H3,(H2,18,19);3-7H,8H2,1-2H3,(H2,15,16)/t;;20?,23-;13?,17-;14-/m..100/s1
InChIKeyIOBCTUJITQMVTJ-PSGBKMRWSA-N
XLogP13.59
TPSA468.01 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001947.38
LogP ≤ 513.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 158755774) is 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is CN1C(=O)C(c2ccc3occc3c2)[C@@](C)(c2cc(-c3cncc([N+](=O)[O-])c3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(CCN)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C3CCCCC3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3c(c2)C=CS3(=O)=O)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is IOBCTUJITQMVTJ-PSGBKMRWSA-N. The full InChI is InChI=1S/C30H27N5O2.C24H24N4O.C23H19N5O4S.C17H30N4O.C14H15N3O3S/c31-29-34-30(24-12-3-1-4-13-24,25-14-5-2-6-15-25)28(37)35(29)21-22-10-9-11-23(20-22)27(36)33-19-17-26-16-7-8-18-32-26;1-28-22(29)24(27-23(28)26,20-10-3-2-4-11-20)21-12-6-9-19(16-21)18-8-5-7-17(15-18)13-14-25;1-23(19-9-16(12-33-19)15-8-17(28(30)31)11-25-10-15)20(21(29)27(2)22(24)26-23)14-3-4-18-13(7-14)5-6-32-18;1-17(11-15(22)20(2)16(18)19-17)13-7-6-10-21(12-13)14-8-4-3-5-9-14;1-14(8-12(18)17(2)13(15)16-14)10-3-4-11-9(7-10)5-6-21(11,19)20/h1-16,18,20H,17,19,21H2,(H2,31,34)(H,33,36);2-12,15-16H,13-14,25H2,1H3,(H2,26,27);3-12,20H,1-2H3,(H2,24,26);13-14H,3-12H2,1-2H3,(H2,18,19);3-7H,8H2,1-2H3,(H2,15,16)/t;;20?,23-;13?,17-;14-/m..100/s1.
What are the key properties of 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 1947.38 g/mol, XLogP of 13.59, 20 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-[3-(2-aminoethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-5-(1-benzofuran-5-yl)-3,6-dimethyl-6-[4-(5-nitro-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(1,1-dioxo-1-benzothiophen-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 158755774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).