2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten

C51H50N21O20W- — CID 159476384

IUPAC2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten
SMILESCNC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(N)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cccc2[nH]c(N)nc12.[NH2-].[W]
InChIInChI=1S/C11H11N5O4.2C11H10N4O5.C9H8N4O4.C9H9N3O2.H2N.W/c1-5(17)13-11-14-8-4-6(16(19)20)3-7(9(8)15-11)10(18)12-2;2*1-5(16)12-11-13-8-4-6(15(18)19)3-7(9(8)14-11)10(17)20-2;1-17-8(14)5-2-4(13(15)16)3-6-7(5)12-9(10)11-6;1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6;;/h3-4H,1-2H3,(H,12,18)(H2,13,14,15,17);2*3-4H,1-2H3,(H2,12,13,14,16);2-3H,1H3,(H3,10,11,12);2-4H,1H3,(H3,10,11,12);1H2;/q;;;;;-1;
InChIKeyHTXULRYXZKQYMU-UHFFFAOYSA-N
MW1460.93 g/mol
LogP5.71
Rot. Bonds12

About 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten

2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten (PubChem CID 159476384) has the molecular formula C51H50N21O20W- and a molecular weight of 1460.93 g/mol. Its IUPAC name is 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten.

Molecular Properties

Compound Name2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten
PubChem CID159476384
Molecular FormulaC51H50N21O20W-
Molecular Weight1460.93 g/mol
Exact Mass1460.31
IUPAC Name2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten
SMILESCNC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(N)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cccc2[nH]c(N)nc12.[NH2-].[W]
InChIInChI=1S/C11H11N5O4.2C11H10N4O5.C9H8N4O4.C9H9N3O2.H2N.W/c1-5(17)13-11-14-8-4-6(16(19)20)3-7(9(8)15-11)10(18)12-2;2*1-5(16)12-11-13-8-4-6(15(18)19)3-7(9(8)14-11)10(17)20-2;1-17-8(14)5-2-4(13(15)16)3-6-7(5)12-9(10)11-6;1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6;;/h3-4H,1-2H3,(H,12,18)(H2,13,14,15,17);2*3-4H,1-2H3,(H2,12,13,14,16);2-3H,1H3,(H3,10,11,12);2-4H,1H3,(H3,10,11,12);1H2;/q;;;;;-1;
InChIKeyHTXULRYXZKQYMU-UHFFFAOYSA-N
XLogP5.71
TPSA623.10 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001460.93
LogP ≤ 55.71
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate
CID 137525774
6-amino-7-methyl-3H-benzimidazole-4-carbonitrile;6-amino-7-methyl-3H-benzimidazole-4-carboxamide;7-methyl-3H-benzimidazole-4-carboxylic acid;7-methyl-6-nitro-3H-benzimidazole-4-carbonitrile;7-methyl-6-nitro-3H-benzimidazole-4-carboxamide;7-methyl-6-nitro-3H-benzimidazole-4-carboxylic acid;hydrochloride
CID 158223462
sodium;carbon dioxide;2-[4-(6-carboxy-1H-benzimidazol-2-yl)-3-nitrophenyl]-3H-benzimidazole-5-carboxylic acid;4-ethylbenzene-1,2-diamine;ethyl 2-[4-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)-3-nitrophenyl]-3H-benzimidazole-5-carboxylate;methane;2-nitroterephthalic acid;2-piperidin-1-ylethanamine;hydroxide
CID 158573428
1H-benzimidazole-4-carboxylic acid;1-(1H-benzimidazol-4-yl)-N,N-dimethylmethanamine;1-[1-[(dimethylamino)methyl]benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[3-[(dimethylamino)methyl]benzimidazol-4-yl]-N,N-dimethylmethanamine;N,N-dimethyl-1H-benzimidazole-4-carboxamide
CID 158620677
sodium;dichlorotin;methane;methanol;methyl 2-amino-3-nitrobenzoate;methyl 2,3-diaminobenzoate;bis(methyl 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxylate);2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxylic acid;hydroxide;hydrate
CID 158670394
2-[(4-amino-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid;2,3-diaminobenzoic acid;3-nitrobenzene-1,2-diamine;2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 158733178
methyl 6-amino-1H-benzimidazole-4-carboxylate;methyl 6-nitro-1H-benzimidazole-4-carboxylate
CID 158744811
N-[4-[6-(6-acetamido-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenyl]acetamide;4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;1-(4-aminophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;methyl 4-[2-(2-phenyl-3H-benzimidazol-5-yl)acetyl]benzoate;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 158773914
2-tert-butyl-N-methyl-1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;2-[3-(methoxymethyl)phenyl]-N-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazole-5-carboxamide;methyl 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-4-carboxylate;methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
CID 159316684
2-acetamido-N-ethyl-6-nitro-1H-benzimidazole-4-carboxamide;2-acetamido-N-ethyl-6-(propanoylamino)-1H-benzimidazole-4-carboxamide;acetic acid;azanide;methane;methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate;methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;propanoyl chloride;tungsten
CID 159747410
Azanium;2-amino-3-nitrobenzoic acid;2,3-diaminobenzoate;8,16,24,32,33,34,35,36-octazanonacyclo[28.2.1.16,9.114,17.122,25.02,7.010,15.018,23.026,31]hexatriaconta-1(32),2(7),3,5,8,10(15),11,13,16,18(23),19,21,24,26(31),27,29-hexadecaene
CID 160268229
sodium;dichlorotin;methanol;methyl 2-amino-3-nitrobenzoate;methyl 2,3-diaminobenzoate;methyl 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxylate;2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxylic acid;hydroxide;hydrate
CID 160415602

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten?
The IUPAC name of 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten (CID 159476384) is 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten.
What is the SMILES notation for 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten?
The canonical SMILES for 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten is CNC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(N)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cc([N+](=O)[O-])cc2[nH]c(NC(C)=O)nc12.COC(=O)c1cccc2[nH]c(N)nc12.[NH2-].[W].
What is the InChIKey of 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten?
The InChIKey is HTXULRYXZKQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4.2C11H10N4O5.C9H8N4O4.C9H9N3O2.H2N.W/c1-5(17)13-11-14-8-4-6(16(19)20)3-7(9(8)15-11)10(18)12-2;2*1-5(16)12-11-13-8-4-6(15(18)19)3-7(9(8)14-11)10(17)20-2;1-17-8(14)5-2-4(13(15)16)3-6-7(5)12-9(10)11-6;1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6;;/h3-4H,1-2H3,(H,12,18)(H2,13,14,15,17);2*3-4H,1-2H3,(H2,12,13,14,16);2-3H,1H3,(H3,10,11,12);2-4H,1H3,(H3,10,11,12);1H2;/q;;;;;-1;.
What are the key properties of 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten?
2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten has a molecular weight of 1460.93 g/mol, XLogP of 5.71, 12 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-6-nitro-1H-benzimidazole-4-carboxamide;azanide;bis(methyl 2-acetamido-6-nitro-1H-benzimidazole-4-carboxylate);methyl 2-amino-1H-benzimidazole-4-carboxylate;methyl 2-amino-6-nitro-1H-benzimidazole-4-carboxylate;tungsten is sourced from PubChem (CID 159476384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).