[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold

C21H24AuClN2 — CID 71310802

IUPAC[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold
SMILESCc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Au]Cl)c(C)c1
InChIInChI=1S/C21H24N2.Au.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,1-6H3;;1H/q;+1;/p-1
InChIKeyYFUIKJIITPMUAT-UHFFFAOYSA-M
MW536.86 g/mol
LogP5.89
Rot. Bonds2

About [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold

[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold (PubChem CID 71310802) has the molecular formula C21H24AuClN2 and a molecular weight of 536.86 g/mol. Its IUPAC name is [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold.

Molecular Properties

Compound Name[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold
PubChem CID71310802
Molecular FormulaC21H24AuClN2
Molecular Weight536.86 g/mol
Exact Mass536.13
IUPAC Name[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold
SMILESCc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Au]Cl)c(C)c1
InChIInChI=1S/C21H24N2.Au.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,1-6H3;;1H/q;+1;/p-1
InChIKeyYFUIKJIITPMUAT-UHFFFAOYSA-M
XLogP5.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.86
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold?
The IUPAC name of [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold (CID 71310802) is [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold.
What is the SMILES notation for [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold?
The canonical SMILES for [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold is Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Au]Cl)c(C)c1.
What is the InChIKey of [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold?
The InChIKey is YFUIKJIITPMUAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24N2.Au.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,1-6H3;;1H/q;+1;/p-1.
What are the key properties of [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold?
[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold has a molecular weight of 536.86 g/mol, XLogP of 5.89, 2 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)imidazol-2-ylidene]-chlorogold is sourced from PubChem (CID 71310802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).