disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate

C42H50Ag2Cl2N10O10 — CID 139129860

IUPACdisilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate
SMILESCN(C)C=O.CN(C)C=O.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/2C18H18N4.2C3H7NO.2Ag.2ClHO4/c2*1-2-8-14-13(7-1)19-17(20-14)11-5-6-12-18-21-15-9-3-4-10-16(15)22-18;2*1-4(2)3-5;;;2*2-1(3,4)5/h2*1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22);2*3H,1-2H3;;;2*(H,2,3,4,5)/q;;;;2*+1;;/p-2
InChIKeyCXSIYWGKOGTFFB-UHFFFAOYSA-L
MW1141.56 g/mol
LogP-2.10
Rot. Bonds12

About disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate

disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate (PubChem CID 139129860) has the molecular formula C42H50Ag2Cl2N10O10 and a molecular weight of 1141.56 g/mol. Its IUPAC name is disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate.

Molecular Properties

Compound Namedisilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate
PubChem CID139129860
Molecular FormulaC42H50Ag2Cl2N10O10
Molecular Weight1141.56 g/mol
Exact Mass1138.12
IUPAC Namedisilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate
SMILESCN(C)C=O.CN(C)C=O.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/2C18H18N4.2C3H7NO.2Ag.2ClHO4/c2*1-2-8-14-13(7-1)19-17(20-14)11-5-6-12-18-21-15-9-3-4-10-16(15)22-18;2*1-4(2)3-5;;;2*2-1(3,4)5/h2*1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22);2*3H,1-2H3;;;2*(H,2,3,4,5)/q;;;;2*+1;;/p-2
InChIKeyCXSIYWGKOGTFFB-UHFFFAOYSA-L
XLogP-2.10
TPSA339.82 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.56
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tris(2-benzimidazolylmethyl)amine
CID 623893
1-(1H-benzimidazol-2-ylmethyl)-3-prop-1-en-2-ylbenzimidazol-2-one
CID 9944302
1,3-bis(1H-benzimidazol-2-ylmethyl)urea
CID 71727536
1-(1H-benzimidazol-2-ylmethyl)-3-methylbenzimidazol-2-one
CID 44408271
N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 335358
N,N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 335974
1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[6-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino]hexyl]urea
CID 486288
1,3-Bis(bis((1H-benzo[d]imidazol-2-yl)methyl)amino)propan-2-ol
CID 353652
Benzimidazole, 2,2'-(N-methyliminodimethylene)bis-, dihydrochloride
CID 59459
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; ruthenium(2+)
CID 6481881
N,N,N',N'-tetrakis[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 335973
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801

Frequently Asked Questions

What is the IUPAC name of disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate?
The IUPAC name of disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate (CID 139129860) is disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate.
What is the SMILES notation for disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate?
The canonical SMILES for disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate is CN(C)C=O.CN(C)C=O.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate?
The InChIKey is CXSIYWGKOGTFFB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H18N4.2C3H7NO.2Ag.2ClHO4/c2*1-2-8-14-13(7-1)19-17(20-14)11-5-6-12-18-21-15-9-3-4-10-16(15)22-18;2*1-4(2)3-5;;;2*2-1(3,4)5/h2*1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22);2*3H,1-2H3;;;2*(H,2,3,4,5)/q;;;;2*+1;;/p-2.
What are the key properties of disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate?
disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate has a molecular weight of 1141.56 g/mol, XLogP of -2.10, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);bis(N,N-dimethylformamide);diperchlorate is sourced from PubChem (CID 139129860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).