sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate

C75H88N19NaO10 — CID 159047301

IUPACsodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate
SMILESC1CCOC1.CCCC(=O)CNC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.CCO.CCn1c(-c2ccc3ncn(Cc4ccccc4)c3c2)n[nH]c1=O.COC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.NN.NNC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.O.[H]/N=N/[N-]O.[Na+]
InChIInChI=1S/C20H21N3O2.C18H17N5O.C16H14N2O2.C15H14N4O.C4H8O.C2H6O.H2N3O.H4N2.Na.H2O/c1-2-6-17(24)12-21-20(25)16-9-10-18-19(11-16)23(14-22-18)13-15-7-4-3-5-8-15;1-2-23-17(20-21-18(23)24)14-8-9-15-16(10-14)22(12-19-15)11-13-6-4-3-5-7-13;1-20-16(19)13-7-8-14-15(9-13)18(11-17-14)10-12-5-3-2-4-6-12;16-18-15(20)12-6-7-13-14(8-12)19(10-17-13)9-11-4-2-1-3-5-11;1-2-4-5-3-1;1-2-3;1-2-3-4;1-2;;/h3-5,7-11,14H,2,6,12-13H2,1H3,(H,21,25);3-10,12H,2,11H2,1H3,(H,21,24);2-9,11H,10H2,1H3;1-8,10H,9,16H2,(H,18,20);1-4H2;3H,2H2,1H3;(H2-,1,2,3,4);1-2H2;;1H2/q;;;;;;-1;;+1;
InChIKeyRJFLHYUGWIEEJA-UHFFFAOYSA-N
MW1438.64 g/mol
LogP6.89
Rot. Bonds18

About sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate

sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate (PubChem CID 159047301) has the molecular formula C75H88N19NaO10 and a molecular weight of 1438.64 g/mol. Its IUPAC name is sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate.

Molecular Properties

Compound Namesodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate
PubChem CID159047301
Molecular FormulaC75H88N19NaO10
Molecular Weight1438.64 g/mol
Exact Mass1437.69
IUPAC Namesodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate
SMILESC1CCOC1.CCCC(=O)CNC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.CCO.CCn1c(-c2ccc3ncn(Cc4ccccc4)c3c2)n[nH]c1=O.COC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.NN.NNC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.O.[H]/N=N/[N-]O.[Na+]
InChIInChI=1S/C20H21N3O2.C18H17N5O.C16H14N2O2.C15H14N4O.C4H8O.C2H6O.H2N3O.H4N2.Na.H2O/c1-2-6-17(24)12-21-20(25)16-9-10-18-19(11-16)23(14-22-18)13-15-7-4-3-5-8-15;1-2-23-17(20-21-18(23)24)14-8-9-15-16(10-14)22(12-19-15)11-13-6-4-3-5-7-13;1-20-16(19)13-7-8-14-15(9-13)18(11-17-14)10-12-5-3-2-4-6-12;16-18-15(20)12-6-7-13-14(8-12)19(10-17-13)9-11-4-2-1-3-5-11;1-2-4-5-3-1;1-2-3;1-2-3-4;1-2;;/h3-5,7-11,14H,2,6,12-13H2,1H3,(H,21,25);3-10,12H,2,11H2,1H3,(H,21,24);2-9,11H,10H2,1H3;1-8,10H,9,16H2,(H,18,20);1-4H2;3H,2H2,1H3;(H2-,1,2,3,4);1-2H2;;1H2/q;;;;;;-1;;+1;
InChIKeyRJFLHYUGWIEEJA-UHFFFAOYSA-N
XLogP6.89
TPSA433.09 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001438.64
LogP ≤ 56.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate with MolForge

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Related Compounds

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CID 139084608
2-(Dimethylamino)ethyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]methyl]benzoate;methyl 4-[[2-amino-5-(pyrrolidine-1-carbonyl)anilino]methyl]benzoate;methyl 4-[[2-methyl-5-(pyrrolidine-1-carbonyl)anilino]methyl]benzoate;methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]methyl]benzoate;4-[[2-methyl-6-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]methyl]benzoic acid
CID 91545449
methyl 1-[(E)-4-[5-carbamoyl-2-[[2-(2-hydroxyethyl)-5-methylpyrazole-3-carbonyl]amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate
CID 153624003
benzyl N-[3-[5-[amino(hydroxy)methyl]-2-[[4-[5-[5-[[5-carbamoyl-1-[3-(phenylmethoxycarbonylamino)propyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carbonyl]amino]benzimidazol-1-yl]propyl]carbamate
CID 154957460
Methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]benzimidazole-5-carboxylate
CID 156353928
Methyl 1-[4-[5-[amino(hydroxy)methyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]benzimidazole-5-carboxylate
CID 156353947
1,2-dimethylbenzimidazole-5-carboxylic acid;ethanol;methyl 1,2-dimethylbenzimidazole-5-carboxylate;methyl 1-methyl-2-oxo-3H-benzimidazole-5-carboxylate;1-methyl-2-oxo-3H-benzimidazole-5-carboxylic acid;(vanadium)
CID 158154236
ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate
CID 158549323
potassium;sodium;5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-2-methyl-1H-pyrazol-3-one;3-ethoxy-3-oxopropanoate;ethyl 3-[3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazol-5-yl]-3-oxopropanoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate;3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylic acid;hydroxide
CID 159019561
5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;di(imidazol-1-yl)methanone;3-fluoro-4-nitrobenzoic acid;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate
CID 160062058
Sodium;2-(benzhydrylamino)-3-(2-phenylethyl)benzimidazole-5-carboxamide;2-(benzhydrylamino)-3-(2-phenylethyl)benzimidazole-5-carboxylate;bis(2-(benzhydrylamino)-3-(2-phenylethyl)benzimidazole-5-carboxylic acid);ethane;methyl 2-(benzhydrylamino)-3-(2-phenylethyl)benzimidazole-5-carboxylate
CID 160131840
2-Ethyl-5-methylpyrazole-3-carboxylic acid;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate
CID 160177971

Frequently Asked Questions

What is the IUPAC name of sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate?
The IUPAC name of sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate (CID 159047301) is sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate.
What is the SMILES notation for sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate?
The canonical SMILES for sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate is C1CCOC1.CCCC(=O)CNC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.CCO.CCn1c(-c2ccc3ncn(Cc4ccccc4)c3c2)n[nH]c1=O.COC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.NN.NNC(=O)c1ccc2ncn(Cc3ccccc3)c2c1.O.[H]/N=N/[N-]O.[Na+].
What is the InChIKey of sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate?
The InChIKey is RJFLHYUGWIEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.C18H17N5O.C16H14N2O2.C15H14N4O.C4H8O.C2H6O.H2N3O.H4N2.Na.H2O/c1-2-6-17(24)12-21-20(25)16-9-10-18-19(11-16)23(14-22-18)13-15-7-4-3-5-8-15;1-2-23-17(20-21-18(23)24)14-8-9-15-16(10-14)22(12-19-15)11-13-6-4-3-5-7-13;1-20-16(19)13-7-8-14-15(9-13)18(11-17-14)10-12-5-3-2-4-6-12;16-18-15(20)12-6-7-13-14(8-12)19(10-17-13)9-11-4-2-1-3-5-11;1-2-4-5-3-1;1-2-3;1-2-3-4;1-2;;/h3-5,7-11,14H,2,6,12-13H2,1H3,(H,21,25);3-10,12H,2,11H2,1H3,(H,21,24);2-9,11H,10H2,1H3;1-8,10H,9,16H2,(H,18,20);1-4H2;3H,2H2,1H3;(H2-,1,2,3,4);1-2H2;;1H2/q;;;;;;-1;;+1;.
What are the key properties of sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate?
sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate has a molecular weight of 1438.64 g/mol, XLogP of 6.89, 18 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-benzylbenzimidazole-5-carbohydrazide;3-(3-benzylbenzimidazol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one;3-benzyl-N-(2-oxopentyl)benzimidazole-5-carboxamide;diazenyl(hydroxy)azanide;ethanol;hydrazine;methyl 3-benzylbenzimidazole-5-carboxylate;oxolane;hydrate is sourced from PubChem (CID 159047301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).