bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver

C38H42AgN4O2-2 — CID 20806997

IUPACbis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver
SMILESCC1=C(C)N(OCc2ccccc2)[CH-]N1Cc1ccccc1.CC1=C(C)N(OCc2ccccc2)[CH-]N1Cc1ccccc1.[Ag]
InChIInChI=1S/2C19H21N2O.Ag/c2*1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18;/h2*3-12,15H,13-14H2,1-2H3;/q2*-1;
InChIKeyLONGBNDCXLWWHF-UHFFFAOYSA-N
MW694.65 g/mol
LogP8.61
Rot. Bonds10

About bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver

bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver (PubChem CID 20806997) has the molecular formula C38H42AgN4O2-2 and a molecular weight of 694.65 g/mol. Its IUPAC name is bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver.

Molecular Properties

Compound Namebis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver
PubChem CID20806997
Molecular FormulaC38H42AgN4O2-2
Molecular Weight694.65 g/mol
Exact Mass693.24
IUPAC Namebis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver
SMILESCC1=C(C)N(OCc2ccccc2)[CH-]N1Cc1ccccc1.CC1=C(C)N(OCc2ccccc2)[CH-]N1Cc1ccccc1.[Ag]
InChIInChI=1S/2C19H21N2O.Ag/c2*1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18;/h2*3-12,15H,13-14H2,1-2H3;/q2*-1;
InChIKeyLONGBNDCXLWWHF-UHFFFAOYSA-N
XLogP8.61
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.65
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
3,4-diphenyl-1-phenylmethoxypyrrole
CID 141397574
(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
CID 10999557
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
ethane;phenylmethoxymethylbenzene
CID 90943549
3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
CID 174888088
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
CID 141084950

Frequently Asked Questions

What is the IUPAC name of bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver?
The IUPAC name of bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver (CID 20806997) is bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver.
What is the SMILES notation for bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver?
The canonical SMILES for bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver is CC1=C(C)N(OCc2ccccc2)[CH-]N1Cc1ccccc1.CC1=C(C)N(OCc2ccccc2)[CH-]N1Cc1ccccc1.[Ag].
What is the InChIKey of bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver?
The InChIKey is LONGBNDCXLWWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21N2O.Ag/c2*1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18;/h2*3-12,15H,13-14H2,1-2H3;/q2*-1;.
What are the key properties of bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver?
bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver has a molecular weight of 694.65 g/mol, XLogP of 8.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazol-2-ide);silver is sourced from PubChem (CID 20806997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).