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

C61H70ClN22O21W- — CID 161431412

IUPAC2-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
SMILESCC(=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.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);1H2;/q;;;;;;;-1;
InChIKeyBGWYEVMGRLSWHW-UHFFFAOYSA-N
MW1666.66 g/mol
LogP7.75
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;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;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 161431412) has the molecular formula C61H70ClN22O21W- and a molecular weight of 1666.66 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;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;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 CID161431412
Molecular FormulaC61H70ClN22O21W-
Molecular Weight1666.66 g/mol
Exact Mass1665.43
IUPAC Name2-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
SMILESCC(=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.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);1H2;/q;;;;;;;-1;
InChIKeyBGWYEVMGRLSWHW-UHFFFAOYSA-N
XLogP7.75
TPSA666.23 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001666.66
LogP ≤ 57.75
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'}

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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;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;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) is 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.
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;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;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 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;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 BGWYEVMGRLSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.C12H13N5O4.C11H10N4O5.C9H8N4O4.C9H9N3O2.C3H5ClO.C2H4O2.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);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;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;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 1666.66 g/mol, XLogP of 7.75, 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;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 161431412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).