bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide

C28H33AgBrN2- — CID 71591383

IUPACbromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide
SMILESBr[Ag].Cc1cc(C)c(CN2[CH-]N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)c(C)c1
InChIInChI=1S/C28H33N2.Ag.BrH/c1-20-15-21(2)25(22(3)16-20)18-30-19-29(26-9-7-8-10-27(26)30)17-23-11-13-24(14-12-23)28(4,5)6;;/h7-16,19H,17-18H2,1-6H3;;1H/q-1;+1;/p-1
InChIKeyKWCXMVLYZZQQFY-UHFFFAOYSA-M
MW585.36 g/mol
LogP7.90
Rot. Bonds4

About bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide

bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide (PubChem CID 71591383) has the molecular formula C28H33AgBrN2- and a molecular weight of 585.36 g/mol. Its IUPAC name is bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide.

Molecular Properties

Compound Namebromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide
PubChem CID71591383
Molecular FormulaC28H33AgBrN2-
Molecular Weight585.36 g/mol
Exact Mass583.09
IUPAC Namebromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide
SMILESBr[Ag].Cc1cc(C)c(CN2[CH-]N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)c(C)c1
InChIInChI=1S/C28H33N2.Ag.BrH/c1-20-15-21(2)25(22(3)16-20)18-30-19-29(26-9-7-8-10-27(26)30)17-23-11-13-24(14-12-23)28(4,5)6;;/h7-16,19H,17-18H2,1-6H3;;1H/q-1;+1;/p-1
InChIKeyKWCXMVLYZZQQFY-UHFFFAOYSA-M
XLogP7.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.36
LogP ≤ 57.90
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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Frequently Asked Questions

What is the IUPAC name of bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide?
The IUPAC name of bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide (CID 71591383) is bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide.
What is the SMILES notation for bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide?
The canonical SMILES for bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide is Br[Ag].Cc1cc(C)c(CN2[CH-]N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)c(C)c1.
What is the InChIKey of bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide?
The InChIKey is KWCXMVLYZZQQFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H33N2.Ag.BrH/c1-20-15-21(2)25(22(3)16-20)18-30-19-29(26-9-7-8-10-27(26)30)17-23-11-13-24(14-12-23)28(4,5)6;;/h7-16,19H,17-18H2,1-6H3;;1H/q-1;+1;/p-1.
What are the key properties of bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide?
bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide has a molecular weight of 585.36 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromosilver;1-[(4-tert-butylphenyl)methyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide is sourced from PubChem (CID 71591383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).