N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)

C220H292N24O16 — CID 157253134

IUPACN-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)Nc1cc(O)c(NC(C)=O)cc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.Cc1nc2cc3nc(C)[nH]c3cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.O=C(Nc1ccccc1O)c1ccccc1.O=C(Nc1ccccc1O)c1ccccc1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C14H10.2C13H10N2.2C13H11NO2.C10H10N4.C10H12N2O4.4C8H8N2.4C8H9NO2.5C6H6.20C2H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*15-12-9-5-4-8-11(12)14-13(16)10-6-2-1-3-7-10;1-5-11-7-3-9-10(4-8(7)12-5)14-6(2)13-9;1-5(13)11-7-3-10(16)8(4-9(7)15)12-6(2)14;4*1-6-9-7-4-2-3-5-8(7)10-6;4*1-6(10)9-7-4-2-3-5-8(7)11;5*1-2-4-6-5-3-1;20*1-2/h1-10H;2*1-9H,(H,14,15);2*1-9,15H,(H,14,16);3-4H,1-2H3,(H,11,12)(H,13,14);3-4,15-16H,1-2H3,(H,11,13)(H,12,14);4*2-5H,1H3,(H,9,10);4*2-5,11H,1H3,(H,9,10);5*1-6H;20*1-2H3
InChIKeyAWOKOKOVRMFKBK-UHFFFAOYSA-N
MW3528.91 g/mol
LogP60.66
Rot. Bonds12

About N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)

N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole) (PubChem CID 157253134) has the molecular formula C220H292N24O16 and a molecular weight of 3528.91 g/mol. Its IUPAC name is N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole).

Molecular Properties

Compound NameN-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)
PubChem CID157253134
Molecular FormulaC220H292N24O16
Molecular Weight3528.91 g/mol
Exact Mass3526.28
IUPAC NameN-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)Nc1cc(O)c(NC(C)=O)cc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.Cc1nc2cc3nc(C)[nH]c3cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.O=C(Nc1ccccc1O)c1ccccc1.O=C(Nc1ccccc1O)c1ccccc1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C14H10.2C13H10N2.2C13H11NO2.C10H10N4.C10H12N2O4.4C8H8N2.4C8H9NO2.5C6H6.20C2H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*15-12-9-5-4-8-11(12)14-13(16)10-6-2-1-3-7-10;1-5-11-7-3-9-10(4-8(7)12-5)14-6(2)13-9;1-5(13)11-7-3-10(16)8(4-9(7)15)12-6(2)14;4*1-6-9-7-4-2-3-5-8(7)10-6;4*1-6(10)9-7-4-2-3-5-8(7)11;5*1-2-4-6-5-3-1;20*1-2/h1-10H;2*1-9H,(H,14,15);2*1-9,15H,(H,14,16);3-4H,1-2H3,(H,11,12)(H,13,14);3-4,15-16H,1-2H3,(H,11,13)(H,12,14);4*2-5H,1H3,(H,9,10);4*2-5,11H,1H3,(H,9,10);5*1-6H;20*1-2H3
InChIKeyAWOKOKOVRMFKBK-UHFFFAOYSA-N
XLogP60.66
TPSA624.08 Ų
H-Bond Donors24
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003528.91
LogP ≤ 560.66
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
CID 140917485
2-[4-hydroxy-3-[5-[5-[2-[4-hydroxy-3-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 159168435
5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
CID 159168436
2-[2-[4-[5-[5-[2-[2-[2,5-dihydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-3H-indol-6-yl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-2,5-dihydroxyphenyl]-3H-indol-6-yl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 159168437
5-[2-[2-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
CID 159728609
4-(1,3-dioxoisoindol-5-yl)-2-[4-[5-[2-[3-hydroxy-4-(6-methyl-3H-indol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione;4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
CID 160912118
N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);methane;tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)
CID 161739354

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)?
The IUPAC name of N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole) (CID 157253134) is N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole).
What is the SMILES notation for N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)?
The canonical SMILES for N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)Nc1cc(O)c(NC(C)=O)cc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.CC(=O)Nc1ccccc1O.Cc1nc2cc3nc(C)[nH]c3cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2[nH]1.O=C(Nc1ccccc1O)c1ccccc1.O=C(Nc1ccccc1O)c1ccccc1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)?
The InChIKey is AWOKOKOVRMFKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.2C13H10N2.2C13H11NO2.C10H10N4.C10H12N2O4.4C8H8N2.4C8H9NO2.5C6H6.20C2H6/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*15-12-9-5-4-8-11(12)14-13(16)10-6-2-1-3-7-10;1-5-11-7-3-9-10(4-8(7)12-5)14-6(2)13-9;1-5(13)11-7-3-10(16)8(4-9(7)15)12-6(2)14;4*1-6-9-7-4-2-3-5-8(7)10-6;4*1-6(10)9-7-4-2-3-5-8(7)11;5*1-2-4-6-5-3-1;20*1-2/h1-10H;2*1-9H,(H,14,15);2*1-9,15H,(H,14,16);3-4H,1-2H3,(H,11,12)(H,13,14);3-4,15-16H,1-2H3,(H,11,13)(H,12,14);4*2-5H,1H3,(H,9,10);4*2-5,11H,1H3,(H,9,10);5*1-6H;20*1-2H3.
What are the key properties of N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole)?
N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole) has a molecular weight of 3528.91 g/mol, XLogP of 60.66, 12 rotatable bonds, 24 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,5-dihydroxyphenyl)acetamide;anthracene;benzene;2,6-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazole;ethane;tetrakis(N-(2-hydroxyphenyl)acetamide);bis(N-(2-hydroxyphenyl)benzamide);tetrakis(2-methyl-1H-benzimidazole);bis(2-phenyl-1H-benzimidazole) is sourced from PubChem (CID 157253134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).