4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate

C72H56Cl17N11O12 — CID 160913463

IUPAC4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate
SMILESClc1ccc(COc2cc3nc(C(Cl)(Cl)Cl)[nH]c3cc2Cl)cc1.Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-].Nc1cc(Cl)c(OCc2ccc(Cl)cc2)cc1N.Nc1cc(OCc2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-].O=C(O)c1nc2cc(OCc3ccc(Cl)cc3)c(Cl)cc2[nH]1.OCc1ccc(Cl)cc1.[H]/N=C(\OC)C(Cl)(Cl)Cl
InChIInChI=1S/C15H9Cl5N2O.C15H10Cl2N2O3.C13H10Cl2N2O3.C13H12Cl2N2O.C7H7ClO.C6H4Cl2N2O2.C3H4Cl3NO/c16-9-3-1-8(2-4-9)7-23-13-6-12-11(5-10(13)17)21-14(22-12)15(18,19)20;16-9-3-1-8(2-4-9)7-22-13-6-12-11(5-10(13)17)18-14(19-12)15(20)21;14-9-3-1-8(2-4-9)7-20-13-6-11(16)12(17(18)19)5-10(13)15;14-9-3-1-8(2-4-9)7-18-13-6-12(17)11(16)5-10(13)15;8-7-3-1-6(5-9)2-4-7;7-3-1-5(9)6(10(11)12)2-4(3)8;1-8-2(7)3(4,5)6/h1-6H,7H2,(H,21,22);1-6H,7H2,(H,18,19)(H,20,21);1-6H,7,16H2;1-6H,7,16-17H2;1-4,9H,5H2;1-2H,9H2;7H,1H3/b;;;;;;7-2-
InChIKeySRCDYJPIGGTQNK-LYWQUWNGSA-N
MW1870.01 g/mol
LogP24.52
Rot. Bonds16

About 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate

4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate (PubChem CID 160913463) has the molecular formula C72H56Cl17N11O12 and a molecular weight of 1870.01 g/mol. Its IUPAC name is 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate
PubChem CID160913463
Molecular FormulaC72H56Cl17N11O12
Molecular Weight1870.01 g/mol
Exact Mass1860.88
IUPAC Name4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate
SMILESClc1ccc(COc2cc3nc(C(Cl)(Cl)Cl)[nH]c3cc2Cl)cc1.Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-].Nc1cc(Cl)c(OCc2ccc(Cl)cc2)cc1N.Nc1cc(OCc2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-].O=C(O)c1nc2cc(OCc3ccc(Cl)cc3)c(Cl)cc2[nH]1.OCc1ccc(Cl)cc1.[H]/N=C(\OC)C(Cl)(Cl)Cl
InChIInChI=1S/C15H9Cl5N2O.C15H10Cl2N2O3.C13H10Cl2N2O3.C13H12Cl2N2O.C7H7ClO.C6H4Cl2N2O2.C3H4Cl3NO/c16-9-3-1-8(2-4-9)7-23-13-6-12-11(5-10(13)17)21-14(22-12)15(18,19)20;16-9-3-1-8(2-4-9)7-22-13-6-12-11(5-10(13)17)18-14(19-12)15(20)21;14-9-3-1-8(2-4-9)7-20-13-6-11(16)12(17(18)19)5-10(13)15;14-9-3-1-8(2-4-9)7-18-13-6-12(17)11(16)5-10(13)15;8-7-3-1-6(5-9)2-4-7;7-3-1-5(9)6(10(11)12)2-4(3)8;1-8-2(7)3(4,5)6/h1-6H,7H2,(H,21,22);1-6H,7H2,(H,18,19)(H,20,21);1-6H,7,16H2;1-6H,7,16-17H2;1-4,9H,5H2;1-2H,9H2;7H,1H3/b;;;;;;7-2-
InChIKeySRCDYJPIGGTQNK-LYWQUWNGSA-N
XLogP24.52
TPSA375.25 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001870.01
LogP ≤ 524.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate?
The IUPAC name of 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate (CID 160913463) is 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate.
What is the SMILES notation for 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate?
The canonical SMILES for 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate is Clc1ccc(COc2cc3nc(C(Cl)(Cl)Cl)[nH]c3cc2Cl)cc1.Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-].Nc1cc(Cl)c(OCc2ccc(Cl)cc2)cc1N.Nc1cc(OCc2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-].O=C(O)c1nc2cc(OCc3ccc(Cl)cc3)c(Cl)cc2[nH]1.OCc1ccc(Cl)cc1.[H]/N=C(\OC)C(Cl)(Cl)Cl.
What is the InChIKey of 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate?
The InChIKey is SRCDYJPIGGTQNK-LYWQUWNGSA-N. The full InChI is InChI=1S/C15H9Cl5N2O.C15H10Cl2N2O3.C13H10Cl2N2O3.C13H12Cl2N2O.C7H7ClO.C6H4Cl2N2O2.C3H4Cl3NO/c16-9-3-1-8(2-4-9)7-23-13-6-12-11(5-10(13)17)21-14(22-12)15(18,19)20;16-9-3-1-8(2-4-9)7-22-13-6-12-11(5-10(13)17)18-14(19-12)15(20)21;14-9-3-1-8(2-4-9)7-20-13-6-11(16)12(17(18)19)5-10(13)15;14-9-3-1-8(2-4-9)7-18-13-6-12(17)11(16)5-10(13)15;8-7-3-1-6(5-9)2-4-7;7-3-1-5(9)6(10(11)12)2-4(3)8;1-8-2(7)3(4,5)6/h1-6H,7H2,(H,21,22);1-6H,7H2,(H,18,19)(H,20,21);1-6H,7,16H2;1-6H,7,16-17H2;1-4,9H,5H2;1-2H,9H2;7H,1H3/b;;;;;;7-2-.
What are the key properties of 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate?
4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate has a molecular weight of 1870.01 g/mol, XLogP of 24.52, 16 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-chlorophenyl)methoxy]benzene-1,2-diamine;6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;4-chloro-5-[(4-chlorophenyl)methoxy]-2-nitroaniline;6-chloro-5-[(4-chlorophenyl)methoxy]-2-(trichloromethyl)-1H-benzimidazole;(4-chlorophenyl)methanol;4,5-dichloro-2-nitroaniline;methyl 2,2,2-trichloroethanimidate is sourced from PubChem (CID 160913463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).