disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)

C42H28Ag2N6O12 — CID 139073587

IUPACdisilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)
SMILESO=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1.O=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1.[Ag+].[Ag+].c1cncc(-c2nc3ccccc3[nH]2)c1.c1cncc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/2C12H9N3.2C9H6O6.2Ag/c2*1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h2*1-8H,(H,14,15);2*1-3H,(H,10,11)(H,12,13)(H,14,15);;/q;;;;2*+1/p-2
InChIKeyKPCNPBLEIDLIKA-UHFFFAOYSA-L
MW1024.45 g/mol
LogP4.14
Rot. Bonds8

About disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)

disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole) (PubChem CID 139073587) has the molecular formula C42H28Ag2N6O12 and a molecular weight of 1024.45 g/mol. Its IUPAC name is disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole).

Molecular Properties

Compound Namedisilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)
PubChem CID139073587
Molecular FormulaC42H28Ag2N6O12
Molecular Weight1024.45 g/mol
Exact Mass1021.99
IUPAC Namedisilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)
SMILESO=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1.O=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1.[Ag+].[Ag+].c1cncc(-c2nc3ccccc3[nH]2)c1.c1cncc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/2C12H9N3.2C9H6O6.2Ag/c2*1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h2*1-8H,(H,14,15);2*1-3H,(H,10,11)(H,12,13)(H,14,15);;/q;;;;2*+1/p-2
InChIKeyKPCNPBLEIDLIKA-UHFFFAOYSA-L
XLogP4.14
TPSA312.60 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.45
LogP ≤ 54.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole) 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

3-(2-{[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]carbamoyl}-2-(5-carbamimidoyl-1H-indol-3-yl)ethyl)benzoic acid
CID 10325481
4-((((1H-benzo[d]imidazole-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-3-(aminomethyl)benzoic acid
CID 21984997
3-oxo-1'-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]spiro[2-benzofuran-1,4'-piperidine]-5-carboxylic acid
CID 56603356
4-[[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]amino]methyl]benzoic acid
CID 71730102
3-[[3-(1H-benzimidazol-2-ylmethyl)-2-oxobenzimidazol-1-yl]methyl]benzoic acid
CID 44408146
3-[2-[(1R,3R)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-1H-imidazol-5-yl]benzoic acid
CID 127029889
2-[5-[(4-Methyl-2-propyl-6-pyridin-2-ylbenzimidazol-1-yl)methyl]indol-1-yl]benzoic acid
CID 127053325
2-[5-[(2-Butyl-4-methyl-6-pyridin-2-ylbenzimidazol-1-yl)methyl]indol-1-yl]benzoic acid
CID 127053326
2-cyclopentyl-4-(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)benzoic acid
CID 164619389
3-[1-[[4-(1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]-2-(4-phenylphenyl)benzimidazole-5-carboxylic acid
CID 44527656
2-[[2-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]pyridine-4-carboxylic acid
CID 145975987
2-(2-pyridin-3-yl-4-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 166629181

Frequently Asked Questions

What is the IUPAC name of disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)?
The IUPAC name of disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole) (CID 139073587) is disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole).
What is the SMILES notation for disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)?
The canonical SMILES for disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole) is O=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1.O=C([O-])c1cc(C(=O)O)cc(C(=O)O)c1.[Ag+].[Ag+].c1cncc(-c2nc3ccccc3[nH]2)c1.c1cncc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)?
The InChIKey is KPCNPBLEIDLIKA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H9N3.2C9H6O6.2Ag/c2*1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h2*1-8H,(H,14,15);2*1-3H,(H,10,11)(H,12,13)(H,14,15);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole)?
disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole) has a molecular weight of 1024.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(3,5-dicarboxybenzoate);bis(2-pyridin-3-yl-1H-benzimidazole) is sourced from PubChem (CID 139073587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).