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

C65H86ClN22O21W- — CID 159747410

IUPAC2-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
SMILESC.C.C.C.CC(=O)O.CCC(=O)Cl.CCNC(=O)c1cc(NC(=O)CC)cc2[nH]c(NC(C)=O)nc12.CCNC(=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)c1cccc2[nH]c(N)nc12.[NH2-].[W]
InChIInChI=1S/C15H19N5O3.C12H13N5O4.C11H10N4O5.C9H8N4O4.C9H9N3O2.C3H5ClO.C2H4O2.4CH4.H2N.W/c1-4-12(22)18-9-6-10(14(23)16-5-2)13-11(7-9)19-15(20-13)17-8(3)21;1-3-13-11(19)8-4-7(17(20)21)5-9-10(8)16-12(15-9)14-6(2)18;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;1-2-3(4)5;1-2(3)4;;;;;;/h6-7H,4-5H2,1-3H3,(H,16,23)(H,18,22)(H2,17,19,20,21);4-5H,3H2,1-2H3,(H,13,19)(H2,14,15,16,18);3-4H,1-2H3,(H2,12,13,14,16);2-3H,1H3,(H3,10,11,12);2-4H,1H3,(H3,10,11,12);2H2,1H3;1H3,(H,3,4);4*1H4;1H2;/q;;;;;;;;;;;-1;
InChIKeyRCGPOGLQMFCYEH-UHFFFAOYSA-N
MW1730.83 g/mol
LogP10.30
Rot. Bonds16

About 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

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 (PubChem CID 159747410) has the molecular formula C65H86ClN22O21W- and a molecular weight of 1730.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159747410
Molecular FormulaC65H86ClN22O21W-
Molecular Weight1730.83 g/mol
Exact Mass1729.55
IUPAC Name2-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
SMILESC.C.C.C.CC(=O)O.CCC(=O)Cl.CCNC(=O)c1cc(NC(=O)CC)cc2[nH]c(NC(C)=O)nc12.CCNC(=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)c1cccc2[nH]c(N)nc12.[NH2-].[W]
InChIInChI=1S/C15H19N5O3.C12H13N5O4.C11H10N4O5.C9H8N4O4.C9H9N3O2.C3H5ClO.C2H4O2.4CH4.H2N.W/c1-4-12(22)18-9-6-10(14(23)16-5-2)13-11(7-9)19-15(20-13)17-8(3)21;1-3-13-11(19)8-4-7(17(20)21)5-9-10(8)16-12(15-9)14-6(2)18;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;1-2-3(4)5;1-2(3)4;;;;;;/h6-7H,4-5H2,1-3H3,(H,16,23)(H,18,22)(H2,17,19,20,21);4-5H,3H2,1-2H3,(H,13,19)(H2,14,15,16,18);3-4H,1-2H3,(H2,12,13,14,16);2-3H,1H3,(H3,10,11,12);2-4H,1H3,(H3,10,11,12);2H2,1H3;1H3,(H,3,4);4*1H4;1H2;/q;;;;;;;;;;;-1;
InChIKeyRCGPOGLQMFCYEH-UHFFFAOYSA-N
XLogP10.30
TPSA666.23 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001730.83
LogP ≤ 510.30
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(3-nitrophenyl)ethanone;tert-butyl (2S)-2-[4-[[2-(3-nitrophenyl)-2-oxoethyl]carbamoyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxylic acid;2-methylpropyl carbonochloridate;hydrochloride
CID 157464939
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;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
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
2-chloro-6-methyl-5-phenyl-1H-benzimidazole;N-hydroxy-2-(6-methyl-5-phenyl-1H-benzimidazol-2-yl)-1,3-dihydroisoindole-4-carboxamide;methyl 2-(6-methyl-5-phenyl-1H-benzimidazol-2-yl)-1,3-dihydroisoindole-4-carboxylate;4-methyl-2-nitro-5-phenylaniline;4-methyl-5-phenylbenzene-1,2-diamine;6-methyl-5-phenyl-1,3-dihydroindol-2-one
CID 160370509
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
2-acetamido-N-ethyl-6-nitro-1H-benzimidazole-4-carboxamide;2-acetamido-N-ethyl-6-(propanoylamino)-1H-benzimidazole-4-carboxamide;acetic acid;azanide;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 161431412
sodium;dichlorotin;methane;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 162136740

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.CC(=O)O.CCC(=O)Cl.CCNC(=O)c1cc(NC(=O)CC)cc2[nH]c(NC(C)=O)nc12.CCNC(=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)c1cccc2[nH]c(N)nc12.[NH2-].[W].
What is the InChIKey of 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?
The InChIKey is RCGPOGLQMFCYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.C12H13N5O4.C11H10N4O5.C9H8N4O4.C9H9N3O2.C3H5ClO.C2H4O2.4CH4.H2N.W/c1-4-12(22)18-9-6-10(14(23)16-5-2)13-11(7-9)19-15(20-13)17-8(3)21;1-3-13-11(19)8-4-7(17(20)21)5-9-10(8)16-12(15-9)14-6(2)18;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;1-2-3(4)5;1-2(3)4;;;;;;/h6-7H,4-5H2,1-3H3,(H,16,23)(H,18,22)(H2,17,19,20,21);4-5H,3H2,1-2H3,(H,13,19)(H2,14,15,16,18);3-4H,1-2H3,(H2,12,13,14,16);2-3H,1H3,(H3,10,11,12);2-4H,1H3,(H3,10,11,12);2H2,1H3;1H3,(H,3,4);4*1H4;1H2;/q;;;;;;;;;;;-1;.
What are the key properties of 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?
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 has a molecular weight of 1730.83 g/mol, XLogP of 10.30, 16 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159747410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).