1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride

C17H17AuClN2- — CID 54576759

IUPAC1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride
SMILESC1=CN(Cc2ccccc2)[CH-]N1Cc1ccccc1.[Au+].[Cl-]
InChIInChI=1S/C17H17N2.Au.ClH/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17;;/h1-12,15H,13-14H2;;1H/q-1;+1;/p-1
InChIKeyPMJXESSRGUJOPJ-UHFFFAOYSA-M
MW481.76 g/mol
LogP0.60
Rot. Bonds4

About 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride

1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride (PubChem CID 54576759) has the molecular formula C17H17AuClN2- and a molecular weight of 481.76 g/mol. Its IUPAC name is 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride.

Molecular Properties

Compound Name1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride
PubChem CID54576759
Molecular FormulaC17H17AuClN2-
Molecular Weight481.76 g/mol
Exact Mass481.08
IUPAC Name1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride
SMILESC1=CN(Cc2ccccc2)[CH-]N1Cc1ccccc1.[Au+].[Cl-]
InChIInChI=1S/C17H17N2.Au.ClH/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17;;/h1-12,15H,13-14H2;;1H/q-1;+1;/p-1
InChIKeyPMJXESSRGUJOPJ-UHFFFAOYSA-M
XLogP0.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.76
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-benzyl-2-iodopyrrole
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1-benzyl-4,4-dichloropyridine
CID 174541492
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
CID 162319064
2-(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)ethanol chloride
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benzylphosphanium chloride
CID 70121985
1-benzyltriazole
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15-benzyl-1,8-diphenyl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene
CID 102339470

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride?
The IUPAC name of 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride (CID 54576759) is 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride.
What is the SMILES notation for 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride?
The canonical SMILES for 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride is C1=CN(Cc2ccccc2)[CH-]N1Cc1ccccc1.[Au+].[Cl-].
What is the InChIKey of 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride?
The InChIKey is PMJXESSRGUJOPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17N2.Au.ClH/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17;;/h1-12,15H,13-14H2;;1H/q-1;+1;/p-1.
What are the key properties of 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride?
1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride has a molecular weight of 481.76 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2H-imidazol-2-ide;gold(1+);chloride is sourced from PubChem (CID 54576759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).