1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver

C27H31AgClN2- — CID 71591385

IUPAC1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver
SMILESCc1cc(C)c(CN2[CH-]N(Cc3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.Cl[Ag]
InChIInChI=1S/C27H31N2.Ag.ClH/c1-18-11-20(3)24(21(4)12-18)15-28-17-29(27-10-8-7-9-26(27)28)16-25-22(5)13-19(2)14-23(25)6;;/h7-14,17H,15-16H2,1-6H3;;1H/q-1;+1;/p-1
InChIKeyFTRKCHMFSRYLEX-UHFFFAOYSA-M
MW526.88 g/mol
LogP7.37
Rot. Bonds4

About 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver

1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver (PubChem CID 71591385) has the molecular formula C27H31AgClN2- and a molecular weight of 526.88 g/mol. Its IUPAC name is 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver.

Molecular Properties

Compound Name1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver
PubChem CID71591385
Molecular FormulaC27H31AgClN2-
Molecular Weight526.88 g/mol
Exact Mass525.12
IUPAC Name1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver
SMILESCc1cc(C)c(CN2[CH-]N(Cc3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.Cl[Ag]
InChIInChI=1S/C27H31N2.Ag.ClH/c1-18-11-20(3)24(21(4)12-18)15-28-17-29(27-10-8-7-9-26(27)28)16-25-22(5)13-19(2)14-23(25)6;;/h7-14,17H,15-16H2,1-6H3;;1H/q-1;+1;/p-1
InChIKeyFTRKCHMFSRYLEX-UHFFFAOYSA-M
XLogP7.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.88
LogP ≤ 57.37
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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1,2,3-Trimethyl-2-naphthalen-1-yl-2,3-dihydro-1H-benzoimidazole
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CID 6602704
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CID 6603488

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver?
The IUPAC name of 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver (CID 71591385) is 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver.
What is the SMILES notation for 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver?
The canonical SMILES for 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver is Cc1cc(C)c(CN2[CH-]N(Cc3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.Cl[Ag].
What is the InChIKey of 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver?
The InChIKey is FTRKCHMFSRYLEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H31N2.Ag.ClH/c1-18-11-20(3)24(21(4)12-18)15-28-17-29(27-10-8-7-9-26(27)28)16-25-22(5)13-19(2)14-23(25)6;;/h7-14,17H,15-16H2,1-6H3;;1H/q-1;+1;/p-1.
What are the key properties of 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver?
1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver has a molecular weight of 526.88 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2,4,6-trimethylphenyl)methyl]-2H-benzimidazol-2-ide;chlorosilver is sourced from PubChem (CID 71591385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).