2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol

C37H28N4O — CID 136863835

IUPAC2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol
SMILESCc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C37H28N4O/c1-24-22-29(36-38-31(25-14-6-2-7-15-25)32(39-36)26-16-8-3-9-17-26)35(42)30(23-24)37-40-33(27-18-10-4-11-19-27)34(41-37)28-20-12-5-13-21-28/h2-23,42H,1H3,(H,38,39)(H,40,41)
InChIKeyOQDZXWHBRMHGIW-UHFFFAOYSA-N
MW544.66 g/mol
LogP9.15
Rot. Bonds6

About 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol

2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol (PubChem CID 136863835) has the molecular formula C37H28N4O and a molecular weight of 544.66 g/mol. Its IUPAC name is 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol
PubChem CID136863835
Molecular FormulaC37H28N4O
Molecular Weight544.66 g/mol
Exact Mass544.23
IUPAC Name2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol
SMILESCc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C37H28N4O/c1-24-22-29(36-38-31(25-14-6-2-7-15-25)32(39-36)26-16-8-3-9-17-26)35(42)30(23-24)37-40-33(27-18-10-4-11-19-27)34(41-37)28-20-12-5-13-21-28/h2-23,42H,1H3,(H,38,39)(H,40,41)
InChIKeyOQDZXWHBRMHGIW-UHFFFAOYSA-N
XLogP9.15
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 59.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-diphenyl-1H-imidazol-2-yl)-Phenol
CID 314542
2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
4-(4,5-Diphenyl-1H-imidazol-2-yl)phenol (for Biochemical Research)
CID 352144
3-[4,5-bis({[1,1'-biphenyl]-4-yl})-1H-imidazol-2-yl]phenol
CID 2259222
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
CID 447506
Cra_23653
CID 135559095
3-[5-[4-[4-[2-(3-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenol
CID 3123811
3-(4,5-diphenyl-1H-imidazol-2-yl)phenol
CID 352145
4-{4,5-Bis[4-(dimethylamino)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene}cyclohexa-2,5-dien-1-one
CID 135786569
2-(1H-1,3-benzodiazol-2-yl)-4-methylphenol
CID 135740402
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-(2,6-dimethylphenyl)phenol
CID 136066111
3-[5-[4-[2-(3-hydroxyphenyl)-5-(3-iodophenyl)-1H-imidazol-4-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol
CID 135495689

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol?
The IUPAC name of 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol (CID 136863835) is 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol.
What is the SMILES notation for 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol?
The canonical SMILES for 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol is Cc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol?
The InChIKey is OQDZXWHBRMHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4O/c1-24-22-29(36-38-31(25-14-6-2-7-15-25)32(39-36)26-16-8-3-9-17-26)35(42)30(23-24)37-40-33(27-18-10-4-11-19-27)34(41-37)28-20-12-5-13-21-28/h2-23,42H,1H3,(H,38,39)(H,40,41).
What are the key properties of 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol?
2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol has a molecular weight of 544.66 g/mol, XLogP of 9.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol is sourced from PubChem (CID 136863835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).