1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene

C82H107Cl4N5O10 — CID 161358328

IUPAC1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene
SMILESC.C.C.C.CC1C(=O)NC(=O)N1Cc1ccccc1.CCC(CC(C)(C)c1ccccc1)c1ccccc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O.CCc1c(Cl)cc(NC(C)=O)c(O)c1Cl.Cc1ccccc1C(=O)O.Cc1ccccc1C(N)=O
InChIInChI=1S/C22H27Cl2NO3.C19H24.C11H12N2O2.C10H11Cl2NO2.C8H9NO.C8H8O2.4CH4/c1-5-7-8-19(28-18-10-9-13(3)11-14(18)4)22(27)25-17-12-16(23)15(6-2)20(24)21(17)26;1-4-16(17-11-7-5-8-12-17)15-19(2,3)18-13-9-6-10-14-18;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9;1-3-6-7(11)4-8(13-5(2)14)10(15)9(6)12;2*1-6-4-2-3-5-7(6)8(9)10;;;;/h9-12,19,26H,5-8H2,1-4H3,(H,25,27);5-14,16H,4,15H2,1-3H3;2-6,8H,7H2,1H3,(H,12,14,15);4,15H,3H2,1-2H3,(H,13,14);2-5H,1H3,(H2,9,10);2-5H,1H3,(H,9,10);4*1H4
InChIKeyVOVKCCXHRXVZJB-UHFFFAOYSA-N
MW1464.59 g/mol
LogP21.68
Rot. Bonds19

About 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene

1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene (PubChem CID 161358328) has the molecular formula C82H107Cl4N5O10 and a molecular weight of 1464.59 g/mol. Its IUPAC name is 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene
PubChem CID161358328
Molecular FormulaC82H107Cl4N5O10
Molecular Weight1464.59 g/mol
Exact Mass1461.68
IUPAC Name1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene
SMILESC.C.C.C.CC1C(=O)NC(=O)N1Cc1ccccc1.CCC(CC(C)(C)c1ccccc1)c1ccccc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O.CCc1c(Cl)cc(NC(C)=O)c(O)c1Cl.Cc1ccccc1C(=O)O.Cc1ccccc1C(N)=O
InChIInChI=1S/C22H27Cl2NO3.C19H24.C11H12N2O2.C10H11Cl2NO2.C8H9NO.C8H8O2.4CH4/c1-5-7-8-19(28-18-10-9-13(3)11-14(18)4)22(27)25-17-12-16(23)15(6-2)20(24)21(17)26;1-4-16(17-11-7-5-8-12-17)15-19(2,3)18-13-9-6-10-14-18;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9;1-3-6-7(11)4-8(13-5(2)14)10(15)9(6)12;2*1-6-4-2-3-5-7(6)8(9)10;;;;/h9-12,19,26H,5-8H2,1-4H3,(H,25,27);5-14,16H,4,15H2,1-3H3;2-6,8H,7H2,1H3,(H,12,14,15);4,15H,3H2,1-2H3,(H,13,14);2-5H,1H3,(H2,9,10);2-5H,1H3,(H,9,10);4*1H4
InChIKeyVOVKCCXHRXVZJB-UHFFFAOYSA-N
XLogP21.68
TPSA237.69 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001464.59
LogP ≤ 521.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
CID 59961227
2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide
CID 101164913
(E)-3-[3-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]-2-ethyl-4-hydroxyphenyl]sulfanylprop-2-enoic acid
CID 59899958
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
CID 20665661
2-chloro-N-[3-chloro-4-[2-(2-chloro-4-methylphenoxy)octanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide
CID 54557694
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-ethyl-4-methylphenoxy)butanamide
CID 18716695
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
2-chloro-N-[5-chloro-4-[2-(2-chloro-4-methylphenoxy)propanoylamino]-2-hydroxyphenyl]benzamide;N-[5-chloro-4-[2-(2,4-dimethylphenoxy)butanoylamino]-2-hydroxyphenyl]benzamide
CID 54083407
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide
CID 19391879
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide
CID 54408049

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene?
The IUPAC name of 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene (CID 161358328) is 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene.
What is the SMILES notation for 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene?
The canonical SMILES for 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene is C.C.C.C.CC1C(=O)NC(=O)N1Cc1ccccc1.CCC(CC(C)(C)c1ccccc1)c1ccccc1.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O.CCc1c(Cl)cc(NC(C)=O)c(O)c1Cl.Cc1ccccc1C(=O)O.Cc1ccccc1C(N)=O.
What is the InChIKey of 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene?
The InChIKey is VOVKCCXHRXVZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO3.C19H24.C11H12N2O2.C10H11Cl2NO2.C8H9NO.C8H8O2.4CH4/c1-5-7-8-19(28-18-10-9-13(3)11-14(18)4)22(27)25-17-12-16(23)15(6-2)20(24)21(17)26;1-4-16(17-11-7-5-8-12-17)15-19(2,3)18-13-9-6-10-14-18;1-8-10(14)12-11(15)13(8)7-9-5-3-2-4-6-9;1-3-6-7(11)4-8(13-5(2)14)10(15)9(6)12;2*1-6-4-2-3-5-7(6)8(9)10;;;;/h9-12,19,26H,5-8H2,1-4H3,(H,25,27);5-14,16H,4,15H2,1-3H3;2-6,8H,7H2,1H3,(H,12,14,15);4,15H,3H2,1-2H3,(H,13,14);2-5H,1H3,(H2,9,10);2-5H,1H3,(H,9,10);4*1H4.
What are the key properties of 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene?
1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene has a molecular weight of 1464.59 g/mol, XLogP of 21.68, 19 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methylimidazolidine-2,4-dione;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)acetamide;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)hexanamide;methane;2-methylbenzamide;2-methylbenzoic acid;(2-methyl-4-phenylhexan-2-yl)benzene is sourced from PubChem (CID 161358328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).