disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)

C60H46Ag2N8O8 — CID 139199636

IUPACdisilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)
SMILESO=C(O)c1ccc(Cn2cnc3ccccc32)cc1.O=C(O)c1ccc(Cn2cnc3ccccc32)cc1.O=C([O-])c1ccc(Cn2cnc3ccccc32)cc1.O=C([O-])c1ccc(Cn2cnc3ccccc32)cc1.[Ag+].[Ag+]
InChIInChI=1S/4C15H12N2O2.2Ag/c4*18-15(19)12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17;;/h4*1-8,10H,9H2,(H,18,19);;/q;;;;2*+1/p-2
InChIKeyGUHHDTHKZNAUPV-UHFFFAOYSA-L
MW1222.81 g/mol
LogP8.46
Rot. Bonds12

About disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)

disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid) (PubChem CID 139199636) has the molecular formula C60H46Ag2N8O8 and a molecular weight of 1222.81 g/mol. Its IUPAC name is disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid).

Molecular Properties

Compound Namedisilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)
PubChem CID139199636
Molecular FormulaC60H46Ag2N8O8
Molecular Weight1222.81 g/mol
Exact Mass1220.15
IUPAC Namedisilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)
SMILESO=C(O)c1ccc(Cn2cnc3ccccc32)cc1.O=C(O)c1ccc(Cn2cnc3ccccc32)cc1.O=C([O-])c1ccc(Cn2cnc3ccccc32)cc1.O=C([O-])c1ccc(Cn2cnc3ccccc32)cc1.[Ag+].[Ag+]
InChIInChI=1S/4C15H12N2O2.2Ag/c4*18-15(19)12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17;;/h4*1-8,10H,9H2,(H,18,19);;/q;;;;2*+1/p-2
InChIKeyGUHHDTHKZNAUPV-UHFFFAOYSA-L
XLogP8.46
TPSA226.14 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.81
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

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CID 65999
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CID 44373353
4-[[3-[(1-Isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid
CID 15956463
4-[[3-[[1-(4-Hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid
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4-[[3-[[1-(3-Hydroxypropyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid
CID 15956491
4-[[3-[[1-(2-Dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid
CID 15956500
4'-[[2-n-Propyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylic acid
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4-[(2-Hexylbenzimidazol-1-yl)methyl]benzoic acid
CID 15129921
4-[(2-Butyl-1H-benzimidazol-1-yl)methyl]benzoic acid
CID 14987298
4-[(2-Propylbenzimidazol-1-yl)methyl]benzoic acid
CID 15129920
4-[4-[(2-Propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 134152589
4-[1-[3-(Dibenzylamino)-3-oxopropyl]benzimidazol-2-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)?
The IUPAC name of disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid) (CID 139199636) is disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid).
What is the SMILES notation for disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)?
The canonical SMILES for disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid) is O=C(O)c1ccc(Cn2cnc3ccccc32)cc1.O=C(O)c1ccc(Cn2cnc3ccccc32)cc1.O=C([O-])c1ccc(Cn2cnc3ccccc32)cc1.O=C([O-])c1ccc(Cn2cnc3ccccc32)cc1.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)?
The InChIKey is GUHHDTHKZNAUPV-UHFFFAOYSA-L. The full InChI is InChI=1S/4C15H12N2O2.2Ag/c4*18-15(19)12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17;;/h4*1-8,10H,9H2,(H,18,19);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid)?
disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid) has a molecular weight of 1222.81 g/mol, XLogP of 8.46, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-(benzimidazol-1-ylmethyl)benzoate);bis(4-(benzimidazol-1-ylmethyl)benzoic acid) is sourced from PubChem (CID 139199636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).