[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold

C27H38AuN2O — CID 121235457

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C=C1.O.[Au]
InChIInChI=1S/C27H36N2.Au.H2O/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H2
InChIKeyQPUIPCDJKAPHHA-UHFFFAOYSA-N
MW603.58 g/mol
LogP7.15
Rot. Bonds6

About [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold

[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold (PubChem CID 121235457) has the molecular formula C27H38AuN2O and a molecular weight of 603.58 g/mol.

Molecular Properties

Compound Name[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold
PubChem CID121235457
Molecular FormulaC27H38AuN2O
Molecular Weight603.58 g/mol
Exact Mass603.26
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C=C1.O.[Au]
InChIInChI=1S/C27H36N2.Au.H2O/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H2
InChIKeyQPUIPCDJKAPHHA-UHFFFAOYSA-N
XLogP7.15
TPSA37.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.58
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold?
The IUPAC name of [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold (CID 121235457) is not available.
What is the SMILES notation for [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold?
The canonical SMILES for [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold is CC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C=C1.O.[Au].
What is the InChIKey of [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold?
The InChIKey is QPUIPCDJKAPHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2.Au.H2O/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H2.
What are the key properties of [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold?
[1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold has a molecular weight of 603.58 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene](hydroxy)gold is sourced from PubChem (CID 121235457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).