4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium

C65H54BrN15O4S2V — CID 159546603

IUPAC4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium
SMILESBrc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3[nH]2)cc1.Nc1nc2ccccc2s1.O=C(NO)c1ccc(CN(c2ccccn2)c2nc3ccccc3[nH]2)cc1.[V].c1ccc(Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C21H18N4O2.C20H17N5O2.C12H9N3S.C7H6N2S.C5H4BrN.V/c1-27-20(26)16-11-9-15(10-12-16)14-25(19-8-4-5-13-22-19)21-23-17-6-2-3-7-18(17)24-21;26-19(24-27)15-10-8-14(9-11-15)13-25(18-7-3-4-12-21-18)20-22-16-5-1-2-6-17(16)23-20;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;8-7-9-5-3-1-2-4-6(5)10-7;6-5-3-1-2-4-7-5;/h2-13H,14H2,1H3,(H,23,24);1-12,27H,13H2,(H,22,23)(H,24,26);1-8H,(H,13,14,15);1-4H,(H2,8,9);1-4H;
InChIKeyMEWHLRMFYSPMIP-UHFFFAOYSA-N
MW1304.23 g/mol
LogP14.65
Rot. Bonds12

About 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium

4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium (PubChem CID 159546603) has the molecular formula C65H54BrN15O4S2V and a molecular weight of 1304.23 g/mol. Its IUPAC name is 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium.

Molecular Properties

Compound Name4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium
PubChem CID159546603
Molecular FormulaC65H54BrN15O4S2V
Molecular Weight1304.23 g/mol
Exact Mass1302.25
IUPAC Name4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium
SMILESBrc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3[nH]2)cc1.Nc1nc2ccccc2s1.O=C(NO)c1ccc(CN(c2ccccn2)c2nc3ccccc3[nH]2)cc1.[V].c1ccc(Nc2nc3ccccc3s2)nc1
InChIInChI=1S/C21H18N4O2.C20H17N5O2.C12H9N3S.C7H6N2S.C5H4BrN.V/c1-27-20(26)16-11-9-15(10-12-16)14-25(19-8-4-5-13-22-19)21-23-17-6-2-3-7-18(17)24-21;26-19(24-27)15-10-8-14(9-11-15)13-25(18-7-3-4-12-21-18)20-22-16-5-1-2-6-17(16)23-20;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;8-7-9-5-3-1-2-4-6(5)10-7;6-5-3-1-2-4-7-5;/h2-13H,14H2,1H3,(H,23,24);1-12,27H,13H2,(H,22,23)(H,24,26);1-8H,(H,13,14,15);1-4H,(H2,8,9);1-4H;
InChIKeyMEWHLRMFYSPMIP-UHFFFAOYSA-N
XLogP14.65
TPSA254.86 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001304.23
LogP ≤ 514.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?
The IUPAC name of 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium (CID 159546603) is 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium.
What is the SMILES notation for 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?
The canonical SMILES for 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium is Brc1ccccn1.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3[nH]2)cc1.Nc1nc2ccccc2s1.O=C(NO)c1ccc(CN(c2ccccn2)c2nc3ccccc3[nH]2)cc1.[V].c1ccc(Nc2nc3ccccc3s2)nc1.
What is the InChIKey of 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?
The InChIKey is MEWHLRMFYSPMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2.C20H17N5O2.C12H9N3S.C7H6N2S.C5H4BrN.V/c1-27-20(26)16-11-9-15(10-12-16)14-25(19-8-4-5-13-22-19)21-23-17-6-2-3-7-18(17)24-21;26-19(24-27)15-10-8-14(9-11-15)13-25(18-7-3-4-12-21-18)20-22-16-5-1-2-6-17(16)23-20;1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11;8-7-9-5-3-1-2-4-6(5)10-7;6-5-3-1-2-4-7-5;/h2-13H,14H2,1H3,(H,23,24);1-12,27H,13H2,(H,22,23)(H,24,26);1-8H,(H,13,14,15);1-4H,(H2,8,9);1-4H;.
What are the key properties of 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium?
4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium has a molecular weight of 1304.23 g/mol, XLogP of 14.65, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]-N-hydroxybenzamide;1,3-benzothiazol-2-amine;2-bromopyridine;methyl 4-[[1H-benzimidazol-2-yl(pyridin-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3-benzothiazol-2-amine;vanadium is sourced from PubChem (CID 159546603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).