2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol

C25H26N2O2 — CID 139127101

IUPAC2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol
SMILESCCO.Cc1cc(C)c(O)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H20N2O.C2H6O/c1-15-13-16(2)22(26)19(14-15)23-24-20(17-9-5-3-6-10-17)21(25-23)18-11-7-4-8-12-18;1-2-3/h3-14,26H,1-2H3,(H,24,25);3H,2H2,1H3
InChIKeyCVMBZSIVNAXPJP-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.73
Rot. Bonds3

About 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol

2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol (PubChem CID 139127101) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol.

Molecular Properties

Compound Name2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol
PubChem CID139127101
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol
SMILESCCO.Cc1cc(C)c(O)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H20N2O.C2H6O/c1-15-13-16(2)22(26)19(14-15)23-24-20(17-9-5-3-6-10-17)21(25-23)18-11-7-4-8-12-18;1-2-3/h3-14,26H,1-2H3,(H,24,25);3H,2H2,1H3
InChIKeyCVMBZSIVNAXPJP-UHFFFAOYSA-N
XLogP5.73
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.73
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

Fenflumizole
CID 68917
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
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559081
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
CID 447506
4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)phenol
CID 10470279
2-(4-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 788012
1H-imidazole, 2,4,5-tris(4-methoxyphenyl)-
CID 1076653
2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 74782
Cra_23653
CID 135559095

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol?
The IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol (CID 139127101) is 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol.
What is the SMILES notation for 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol?
The canonical SMILES for 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol is CCO.Cc1cc(C)c(O)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol?
The InChIKey is CVMBZSIVNAXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O.C2H6O/c1-15-13-16(2)22(26)19(14-15)23-24-20(17-9-5-3-6-10-17)21(25-23)18-11-7-4-8-12-18;1-2-3/h3-14,26H,1-2H3,(H,24,25);3H,2H2,1H3.
What are the key properties of 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol?
2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol has a molecular weight of 386.50 g/mol, XLogP of 5.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-1H-imidazol-2-yl)-4,6-dimethylphenol;ethanol is sourced from PubChem (CID 139127101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).