3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide

C160H155BrClN21O13 — CID 159739739

IUPAC3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
SMILESCC(=O)c1ccccc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(-c4cccc(OC)c4)c3)N=C2N)c1.CCNC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CN1C(=O)C(C)(c2cncc(Br)c2)N=C1N.COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OCc1ccccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C31H36N4O3.C31H28N4O2.C30H27N3O3.C30H25N3O2.C28H28ClN3O2.C10H11BrN4O/c1-5-16-34(17-6-2)28(36)25-13-7-10-22(18-25)21-35-29(37)31(3,33-30(35)32)26-14-8-11-23(19-26)24-12-9-15-27(20-24)38-4;1-2-33-28(36)24-18-16-23(17-19-24)25-11-9-10-22(20-25)21-35-29(37)31(34-30(35)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-33-28(34)30(32-29(33)31,24-13-7-4-8-14-24)25-15-9-12-22(18-25)23-16-17-26(35-2)27(19-23)36-20-21-10-5-3-6-11-21;1-21(34)26-17-8-9-18-27(26)23-12-10-11-22(19-23)20-33-28(35)30(32-29(33)31,24-13-4-2-5-14-24)25-15-6-3-7-16-25;29-24-16-10-11-21(19-24)20-25(33)17-8-3-9-18-32-26(34)28(31-27(32)30,22-12-4-1-5-13-22)23-14-6-2-7-15-23;1-10(6-3-7(11)5-13-4-6)8(16)15(2)9(12)14-10/h7-15,18-20H,5-6,16-17,21H2,1-4H3,(H2,32,33);3-20H,2,21H2,1H3,(H2,32,34)(H,33,36);3-19H,20H2,1-2H3,(H2,31,32);2-19H,20H2,1H3,(H2,31,32);1-2,4-7,10-16,19H,3,8-9,17-18,20H2,(H2,30,31);3-5H,1-2H3,(H2,12,14)
InChIKeyNCHLAWOGTKAEQE-UHFFFAOYSA-N
MW2695.49 g/mol
LogP25.99
Rot. Bonds41

About 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide

3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide (PubChem CID 159739739) has the molecular formula C160H155BrClN21O13 and a molecular weight of 2695.49 g/mol. Its IUPAC name is 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
PubChem CID159739739
Molecular FormulaC160H155BrClN21O13
Molecular Weight2695.49 g/mol
Exact Mass2692.10
IUPAC Name3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide
SMILESCC(=O)c1ccccc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(-c4cccc(OC)c4)c3)N=C2N)c1.CCNC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CN1C(=O)C(C)(c2cncc(Br)c2)N=C1N.COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OCc1ccccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C31H36N4O3.C31H28N4O2.C30H27N3O3.C30H25N3O2.C28H28ClN3O2.C10H11BrN4O/c1-5-16-34(17-6-2)28(36)25-13-7-10-22(18-25)21-35-29(37)31(3,33-30(35)32)26-14-8-11-23(19-26)24-12-9-15-27(20-24)38-4;1-2-33-28(36)24-18-16-23(17-19-24)25-11-9-10-22(20-25)21-35-29(37)31(34-30(35)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-33-28(34)30(32-29(33)31,24-13-7-4-8-14-24)25-15-9-12-22(18-25)23-16-17-26(35-2)27(19-23)36-20-21-10-5-3-6-11-21;1-21(34)26-17-8-9-18-27(26)23-12-10-11-22(19-23)20-33-28(35)30(32-29(33)31,24-13-4-2-5-14-24)25-15-6-3-7-16-25;29-24-16-10-11-21(19-24)20-25(33)17-8-3-9-18-32-26(34)28(31-27(32)30,22-12-4-1-5-13-22)23-14-6-2-7-15-23;1-10(6-3-7(11)5-13-4-6)8(16)15(2)9(12)14-10/h7-15,18-20H,5-6,16-17,21H2,1-4H3,(H2,32,33);3-20H,2,21H2,1H3,(H2,32,34)(H,33,36);3-19H,20H2,1-2H3,(H2,31,32);2-19H,20H2,1H3,(H2,31,32);1-2,4-7,10-16,19H,3,8-9,17-18,20H2,(H2,30,31);3-5H,1-2H3,(H2,12,14)
InChIKeyNCHLAWOGTKAEQE-UHFFFAOYSA-N
XLogP25.99
TPSA476.27 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002695.49
LogP ≤ 525.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
The IUPAC name of 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide (CID 159739739) is 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide is CC(=O)c1ccccc1-c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CCCN(CCC)C(=O)c1cccc(CN2C(=O)C(C)(c3cccc(-c4cccc(OC)c4)c3)N=C2N)c1.CCNC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)cc1.CN1C(=O)C(C)(c2cncc(Br)c2)N=C1N.COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OCc1ccccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
The InChIKey is NCHLAWOGTKAEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3.C31H28N4O2.C30H27N3O3.C30H25N3O2.C28H28ClN3O2.C10H11BrN4O/c1-5-16-34(17-6-2)28(36)25-13-7-10-22(18-25)21-35-29(37)31(3,33-30(35)32)26-14-8-11-23(19-26)24-12-9-15-27(20-24)38-4;1-2-33-28(36)24-18-16-23(17-19-24)25-11-9-10-22(20-25)21-35-29(37)31(34-30(35)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-33-28(34)30(32-29(33)31,24-13-7-4-8-14-24)25-15-9-12-22(18-25)23-16-17-26(35-2)27(19-23)36-20-21-10-5-3-6-11-21;1-21(34)26-17-8-9-18-27(26)23-12-10-11-22(19-23)20-33-28(35)30(32-29(33)31,24-13-4-2-5-14-24)25-15-6-3-7-16-25;29-24-16-10-11-21(19-24)20-25(33)17-8-3-9-18-32-26(34)28(31-27(32)30,22-12-4-1-5-13-22)23-14-6-2-7-15-23;1-10(6-3-7(11)5-13-4-6)8(16)15(2)9(12)14-10/h7-15,18-20H,5-6,16-17,21H2,1-4H3,(H2,32,33);3-20H,2,21H2,1H3,(H2,32,34)(H,33,36);3-19H,20H2,1-2H3,(H2,31,32);2-19H,20H2,1H3,(H2,31,32);1-2,4-7,10-16,19H,3,8-9,17-18,20H2,(H2,30,31);3-5H,1-2H3,(H2,12,14).
What are the key properties of 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide?
3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide has a molecular weight of 2695.49 g/mol, XLogP of 25.99, 41 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-acetylphenyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-(5-bromo-3-pyridinyl)-3,5-dimethylimidazol-4-one;2-amino-3-[7-(3-chlorophenyl)-6-oxoheptyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;3-[[2-amino-4-[3-(3-methoxyphenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;4-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-ethylbenzamide is sourced from PubChem (CID 159739739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).