4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride

C59H59Cl9N15O6P — CID 157137564

IUPAC4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride
SMILESCCOC(=O)C(Cc1ccccc1)C(C)=O.Cc1[nH]n(-c2nc3ccc(Cl)cc3[nH]2)c(=O)c1Cc1ccccc1.Clc1ccc2nc(Cl)[nH]c2c1.NN.NNc1nc2ccc(Cl)cc2[nH]1.Nc1ccc(Cl)cc1N.O=C1Cc2cc(Cl)ccc2N1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H15ClN4O.C13H16O3.C8H6ClNO.C7H4Cl2N2.C7H7ClN4.C6H7ClN2.Cl3OP.H4N2/c1-11-14(9-12-5-3-2-4-6-12)17(24)23(22-11)18-20-15-8-7-13(19)10-16(15)21-18;1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11;9-6-1-2-7-5(3-6)4-8(11)10-7;8-4-1-2-5-6(3-4)11-7(9)10-5;8-4-1-2-5-6(3-4)11-7(10-5)12-9;7-4-1-2-5(8)6(9)3-4;1-5(2,3)4;1-2/h2-8,10,22H,9H2,1H3,(H,20,21);4-8,12H,3,9H2,1-2H3;1-3H,4H2,(H,10,11);1-3H,(H,10,11);1-3H,9H2,(H2,10,11,12);1-3H,8-9H2;;1-2H2
InChIKeyCRJRBSXEGAXHNE-UHFFFAOYSA-N
MW1424.27 g/mol
LogP14.93
Rot. Bonds9

About 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride

4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride (PubChem CID 157137564) has the molecular formula C59H59Cl9N15O6P and a molecular weight of 1424.27 g/mol. Its IUPAC name is 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride.

Molecular Properties

Compound Name4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride
PubChem CID157137564
Molecular FormulaC59H59Cl9N15O6P
Molecular Weight1424.27 g/mol
Exact Mass1419.17
IUPAC Name4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride
SMILESCCOC(=O)C(Cc1ccccc1)C(C)=O.Cc1[nH]n(-c2nc3ccc(Cl)cc3[nH]2)c(=O)c1Cc1ccccc1.Clc1ccc2nc(Cl)[nH]c2c1.NN.NNc1nc2ccc(Cl)cc2[nH]1.Nc1ccc(Cl)cc1N.O=C1Cc2cc(Cl)ccc2N1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C18H15ClN4O.C13H16O3.C8H6ClNO.C7H4Cl2N2.C7H7ClN4.C6H7ClN2.Cl3OP.H4N2/c1-11-14(9-12-5-3-2-4-6-12)17(24)23(22-11)18-20-15-8-7-13(19)10-16(15)21-18;1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11;9-6-1-2-7-5(3-6)4-8(11)10-7;8-4-1-2-5-6(3-4)11-7(9)10-5;8-4-1-2-5-6(3-4)11-7(10-5)12-9;7-4-1-2-5(8)6(9)3-4;1-5(2,3)4;1-2/h2-8,10,22H,9H2,1H3,(H,20,21);4-8,12H,3,9H2,1-2H3;1-3H,4H2,(H,10,11);1-3H,(H,10,11);1-3H,9H2,(H2,10,11,12);1-3H,8-9H2;;1-2H2
InChIKeyCRJRBSXEGAXHNE-UHFFFAOYSA-N
XLogP14.93
TPSA355.50 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001424.27
LogP ≤ 514.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride?
The IUPAC name of 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride (CID 157137564) is 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride.
What is the SMILES notation for 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride?
The canonical SMILES for 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride is CCOC(=O)C(Cc1ccccc1)C(C)=O.Cc1[nH]n(-c2nc3ccc(Cl)cc3[nH]2)c(=O)c1Cc1ccccc1.Clc1ccc2nc(Cl)[nH]c2c1.NN.NNc1nc2ccc(Cl)cc2[nH]1.Nc1ccc(Cl)cc1N.O=C1Cc2cc(Cl)ccc2N1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride?
The InChIKey is CRJRBSXEGAXHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O.C13H16O3.C8H6ClNO.C7H4Cl2N2.C7H7ClN4.C6H7ClN2.Cl3OP.H4N2/c1-11-14(9-12-5-3-2-4-6-12)17(24)23(22-11)18-20-15-8-7-13(19)10-16(15)21-18;1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11;9-6-1-2-7-5(3-6)4-8(11)10-7;8-4-1-2-5-6(3-4)11-7(9)10-5;8-4-1-2-5-6(3-4)11-7(10-5)12-9;7-4-1-2-5(8)6(9)3-4;1-5(2,3)4;1-2/h2-8,10,22H,9H2,1H3,(H,20,21);4-8,12H,3,9H2,1-2H3;1-3H,4H2,(H,10,11);1-3H,(H,10,11);1-3H,9H2,(H2,10,11,12);1-3H,8-9H2;;1-2H2.
What are the key properties of 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride?
4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride has a molecular weight of 1424.27 g/mol, XLogP of 14.93, 9 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(6-chloro-1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-3-one;4-chlorobenzene-1,2-diamine;(6-chloro-1H-benzimidazol-2-yl)hydrazine;5-chloro-1,3-dihydroindol-2-one;2,6-dichloro-1H-benzimidazole;ethyl 2-benzyl-3-oxobutanoate;hydrazine;phosphoryl trichloride is sourced from PubChem (CID 157137564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).