disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate

C38H40Ag2B2F10N8 — CID 139198488

IUPACdisilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
SMILESCc1nccn1Cc1ccc(Cn2ccnc2C)cc1.Cc1nccn1Cc1ccc(Cn2ccnc2C)cc1.F[B-](F)(F)F.F[B-](F)(F)F.Fc1ccc(F)cc1.[Ag+].[Ag+]
InChIInChI=1S/2C16H18N4.C6H4F2.2Ag.2BF4/c2*1-13-17-7-9-19(13)11-15-3-5-16(6-4-15)12-20-10-8-18-14(20)2;7-5-1-2-6(8)4-3-5;;;2*2-1(3,4)5/h2*3-10H,11-12H2,1-2H3;1-4H;;;;/q;;;2*+1;2*-1
InChIKeyOBDKQILZIQUUMF-UHFFFAOYSA-N
MW1036.13 g/mol
LogP10.15
Rot. Bonds8

About disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate

disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate (PubChem CID 139198488) has the molecular formula C38H40Ag2B2F10N8 and a molecular weight of 1036.13 g/mol. Its IUPAC name is disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate.

Molecular Properties

Compound Namedisilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
PubChem CID139198488
Molecular FormulaC38H40Ag2B2F10N8
Molecular Weight1036.13 g/mol
Exact Mass1034.15
IUPAC Namedisilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
SMILESCc1nccn1Cc1ccc(Cn2ccnc2C)cc1.Cc1nccn1Cc1ccc(Cn2ccnc2C)cc1.F[B-](F)(F)F.F[B-](F)(F)F.Fc1ccc(F)cc1.[Ag+].[Ag+]
InChIInChI=1S/2C16H18N4.C6H4F2.2Ag.2BF4/c2*1-13-17-7-9-19(13)11-15-3-5-16(6-4-15)12-20-10-8-18-14(20)2;7-5-1-2-6(8)4-3-5;;;2*2-1(3,4)5/h2*3-10H,11-12H2,1-2H3;1-4H;;;;/q;;;2*+1;2*-1
InChIKeyOBDKQILZIQUUMF-UHFFFAOYSA-N
XLogP10.15
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.13
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
1-benzyl-2-methylimidazole
CID 158634472
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CID 155737371
3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide
CID 86904048
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
[1-[(4-fluorophenyl)methyl]imidazol-2-yl]hydrazine
CID 174374268
N-ethyl-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 105348559
3-[4-[(2-methylimidazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969654
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 56583697
1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol
CID 92565801
N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122506
4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole
CID 167974093

Frequently Asked Questions

What is the IUPAC name of disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate?
The IUPAC name of disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate (CID 139198488) is disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate.
What is the SMILES notation for disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate?
The canonical SMILES for disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate is Cc1nccn1Cc1ccc(Cn2ccnc2C)cc1.Cc1nccn1Cc1ccc(Cn2ccnc2C)cc1.F[B-](F)(F)F.F[B-](F)(F)F.Fc1ccc(F)cc1.[Ag+].[Ag+].
What is the InChIKey of disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate?
The InChIKey is OBDKQILZIQUUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18N4.C6H4F2.2Ag.2BF4/c2*1-13-17-7-9-19(13)11-15-3-5-16(6-4-15)12-20-10-8-18-14(20)2;7-5-1-2-6(8)4-3-5;;;2*2-1(3,4)5/h2*3-10H,11-12H2,1-2H3;1-4H;;;;/q;;;2*+1;2*-1.
What are the key properties of disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate?
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate has a molecular weight of 1036.13 g/mol, XLogP of 10.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate is sourced from PubChem (CID 139198488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).