2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

C125H131Cl2FN18O7 — CID 158173131

IUPAC2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(CC3CCCCC3)C2)C1=O.Cc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)c1cccc(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCCCC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C30H24FN3O2.C28H35ClN4O.C27H26ClN3O2.C23H28N4O.C17H18N4O/c31-26-16-8-11-23(19-26)27(35)18-21-9-7-10-22(17-21)20-34-28(36)30(33-29(34)32,24-12-3-1-4-13-24)25-14-5-2-6-15-25;1-28(24-11-5-9-22(15-24)23-10-6-12-25(29)16-23)26(34)33(27(30)31-28)19-21-13-14-32(18-21)17-20-7-3-2-4-8-20;28-23-16-10-11-20(19-23)24(32)17-8-3-9-18-31-25(33)27(30-26(31)29,21-12-4-1-5-13-21)22-14-6-2-7-15-22;24-22-25-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21(28)27(22)18-10-17-26-15-8-3-9-16-26;1-11-7-13(10-19-9-11)12-5-4-6-14(8-12)17(2)15(22)21(3)16(18)20-17/h1-17,19H,18,20H2,(H2,32,33);5-6,9-12,15-16,20-21H,2-4,7-8,13-14,17-19H2,1H3,(H2,30,31);1-2,4-7,10-16,19H,3,8-9,17-18H2,(H2,29,30);1-2,4-7,11-14H,3,8-10,15-18H2,(H2,24,25);4-10H,1-3H3,(H2,18,20)/t;21-,28?;;;/m.0.../s1
InChIKeyFXRSXFSHHKQBNL-WHVITTQUSA-N
MW2087.45 g/mol
LogP20.34
Rot. Bonds30

About 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 158173131) has the molecular formula C125H131Cl2FN18O7 and a molecular weight of 2087.45 g/mol. Its IUPAC name is 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID158173131
Molecular FormulaC125H131Cl2FN18O7
Molecular Weight2087.45 g/mol
Exact Mass2084.98
IUPAC Name2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(CC3CCCCC3)C2)C1=O.Cc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)c1cccc(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCCCC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C30H24FN3O2.C28H35ClN4O.C27H26ClN3O2.C23H28N4O.C17H18N4O/c31-26-16-8-11-23(19-26)27(35)18-21-9-7-10-22(17-21)20-34-28(36)30(33-29(34)32,24-12-3-1-4-13-24)25-14-5-2-6-15-25;1-28(24-11-5-9-22(15-24)23-10-6-12-25(29)16-23)26(34)33(27(30)31-28)19-21-13-14-32(18-21)17-20-7-3-2-4-8-20;28-23-16-10-11-20(19-23)24(32)17-8-3-9-18-31-25(33)27(30-26(31)29,21-12-4-1-5-13-21)22-14-6-2-7-15-22;24-22-25-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21(28)27(22)18-10-17-26-15-8-3-9-16-26;1-11-7-13(10-19-9-11)12-5-4-6-14(8-12)17(2)15(22)21(3)16(18)20-17/h1-17,19H,18,20H2,(H2,32,33);5-6,9-12,15-16,20-21H,2-4,7-8,13-14,17-19H2,1H3,(H2,30,31);1-2,4-7,10-16,19H,3,8-9,17-18H2,(H2,29,30);1-2,4-7,11-14H,3,8-10,15-18H2,(H2,24,25);4-10H,1-3H3,(H2,18,20)/t;21-,28?;;;/m.0.../s1
InChIKeyFXRSXFSHHKQBNL-WHVITTQUSA-N
XLogP20.34
TPSA346.96 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.45
LogP ≤ 520.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (CID 158173131) is 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(CC3CCCCC3)C2)C1=O.Cc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)c1cccc(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCCCC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(CC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is FXRSXFSHHKQBNL-WHVITTQUSA-N. The full InChI is InChI=1S/C30H24FN3O2.C28H35ClN4O.C27H26ClN3O2.C23H28N4O.C17H18N4O/c31-26-16-8-11-23(19-26)27(35)18-21-9-7-10-22(17-21)20-34-28(36)30(33-29(34)32,24-12-3-1-4-13-24)25-14-5-2-6-15-25;1-28(24-11-5-9-22(15-24)23-10-6-12-25(29)16-23)26(34)33(27(30)31-28)19-21-13-14-32(18-21)17-20-7-3-2-4-8-20;28-23-16-10-11-20(19-23)24(32)17-8-3-9-18-31-25(33)27(30-26(31)29,21-12-4-1-5-13-21)22-14-6-2-7-15-22;24-22-25-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21(28)27(22)18-10-17-26-15-8-3-9-16-26;1-11-7-13(10-19-9-11)12-5-4-6-14(8-12)17(2)15(22)21(3)16(18)20-17/h1-17,19H,18,20H2,(H2,32,33);5-6,9-12,15-16,20-21H,2-4,7-8,13-14,17-19H2,1H3,(H2,30,31);1-2,4-7,10-16,19H,3,8-9,17-18H2,(H2,29,30);1-2,4-7,11-14H,3,8-10,15-18H2,(H2,24,25);4-10H,1-3H3,(H2,18,20)/t;21-,28?;;;/m.0.../s1.
What are the key properties of 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 2087.45 g/mol, XLogP of 20.34, 30 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-(3-chlorophenyl)-6-oxohexyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-[2-(3-fluorophenyl)-2-oxoethyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 158173131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).