di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)

C73H97FN16O24V25 — CID 162031791

About di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)

di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium) (PubChem CID 162031791) has the molecular formula C73H97FN16O24V25 and a molecular weight of 2875.26 g/mol. Its IUPAC name is di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium).

Molecular Properties

• Compound Name: di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)
• PubChem CID: 162031791
• Molecular Formula: C73H97FN16O24V25
• Molecular Weight: 2875.26 g/mol
• Exact Mass: 2874.28
• IUPAC Name: di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)
• SMILES: CCO.CN.CNc1ccc(C(=O)OC)cc1N.CNc1ccc(C(=O)OC)cc1N.CNc1ccc(C(=O)OC)cc1[N+](=O)[O-].COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)ncn2C.COC(C)(OC)OC.COC(OC)OC.Cn1cnc2cc(C(=O)O)ccc21.O=C(n1ccnc1)n1ccnc1.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
• InChI: InChI=1S/C10H10N2O2.C9H10N2O4.C9H8N2O2.2C9H12N2O2.C8H6FNO4.C7H6N4O.C5H12O3.C4H10O3.C2H6O.CH5N.25V/c1-12-6-11-8-5-7(10(13)14-2)3-4-9(8)12;1-10-7-4-3-6(9(12)15-2)5-8(7)11(13)14;1-11-5-10-7-4-6(9(12)13)2-3-8(7)11;2*1-11-8-4-3-6(5-7(8)10)9(12)13-2;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-5(6-2,7-3)8-4;1-5-4(6-2)7-3;1-2-3;1-2;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6H,1-2H3;3-5,10H,1-2H3;2-5H,1H3,(H,12,13);2*3-5,11H,10H2,1-2H3;2-4H,1H3;1-6H;1-4H3;4H,1-3H3;3H,2H2,1H3;2H2,1H3
• InChIKey: YWCSBPXGJNHSCJ-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 533.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2875.26
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)?

The IUPAC name of di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium) (CID 162031791) is di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium).

What is the SMILES notation for di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)?

The canonical SMILES for di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium) is CCO.CN.CNc1ccc(C(=O)OC)cc1N.CNc1ccc(C(=O)OC)cc1N.CNc1ccc(C(=O)OC)cc1[N+](=O)[O-].COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)ncn2C.COC(C)(OC)OC.COC(OC)OC.Cn1cnc2cc(C(=O)O)ccc21.O=C(n1ccnc1)n1ccnc1.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].

What is the InChIKey of di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)?

The InChIKey is YWCSBPXGJNHSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C9H10N2O4.C9H8N2O2.2C9H12N2O2.C8H6FNO4.C7H6N4O.C5H12O3.C4H10O3.C2H6O.CH5N.25V/c1-12-6-11-8-5-7(10(13)14-2)3-4-9(8)12;1-10-7-4-3-6(9(12)15-2)5-8(7)11(13)14;1-11-5-10-7-4-6(9(12)13)2-3-8(7)11;2*1-11-8-4-3-6(5-7(8)10)9(12)13-2;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-5(6-2,7-3)8-4;1-5-4(6-2)7-3;1-2-3;1-2;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6H,1-2H3;3-5,10H,1-2H3;2-5H,1H3,(H,12,13);2*3-5,11H,10H2,1-2H3;2-4H,1H3;1-6H;1-4H3;4H,1-3H3;3H,2H2,1H3;2H2,1H3;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium)?

di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium) has a molecular weight of 2875.26 g/mol, XLogP of 8.68, 17 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for di(imidazol-1-yl)methanone;ethanol;methanamine;bis(methyl 3-amino-4-(methylamino)benzoate);1-methylbenzimidazole-5-carboxylic acid;methyl 4-fluoro-3-nitrobenzoate;methyl 4-(methylamino)-3-nitrobenzoate;methyl 1-methylbenzimidazole-5-carboxylate;1,1,1-trimethoxyethane;trimethoxymethane;(vanadium) is sourced from PubChem (CID 162031791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).