2,4,6-tris(1-benzylimidazol-2-yl)phenol

C36H30N6O — CID 136721299

IUPAC2,4,6-tris(1-benzylimidazol-2-yl)phenol
SMILESOc1c(-c2nccn2Cc2ccccc2)cc(-c2nccn2Cc2ccccc2)cc1-c1nccn1Cc1ccccc1
InChIInChI=1S/C36H30N6O/c43-33-31(35-38-17-20-41(35)25-28-12-6-2-7-13-28)22-30(34-37-16-19-40(34)24-27-10-4-1-5-11-27)23-32(33)36-39-18-21-42(36)26-29-14-8-3-9-15-29/h1-23,43H,24-26H2
InChIKeyXBWBGICFUDRRIM-UHFFFAOYSA-N
MW562.68 g/mol
LogP7.13
Rot. Bonds9

About 2,4,6-tris(1-benzylimidazol-2-yl)phenol

2,4,6-tris(1-benzylimidazol-2-yl)phenol (PubChem CID 136721299) has the molecular formula C36H30N6O and a molecular weight of 562.68 g/mol. Its IUPAC name is 2,4,6-tris(1-benzylimidazol-2-yl)phenol.

Molecular Properties

Compound Name2,4,6-tris(1-benzylimidazol-2-yl)phenol
PubChem CID136721299
Molecular FormulaC36H30N6O
Molecular Weight562.68 g/mol
Exact Mass562.25
IUPAC Name2,4,6-tris(1-benzylimidazol-2-yl)phenol
SMILESOc1c(-c2nccn2Cc2ccccc2)cc(-c2nccn2Cc2ccccc2)cc1-c1nccn1Cc1ccccc1
InChIInChI=1S/C36H30N6O/c43-33-31(35-38-17-20-41(35)25-28-12-6-2-7-13-28)22-30(34-37-16-19-40(34)24-27-10-4-1-5-11-27)23-32(33)36-39-18-21-42(36)26-29-14-8-3-9-15-29/h1-23,43H,24-26H2
InChIKeyXBWBGICFUDRRIM-UHFFFAOYSA-N
XLogP7.13
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-2-phenylimidazole;formic acid
CID 158419728
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
1-benzyl-2-methylimidazole
CID 158634472
3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
CID 82560859
3-(1-benzylimidazol-2-yl)-5-phenyl-1,2-oxazole
CID 6421530
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1-benzylimidazol-2-yl)phenol?
The IUPAC name of 2,4,6-tris(1-benzylimidazol-2-yl)phenol (CID 136721299) is 2,4,6-tris(1-benzylimidazol-2-yl)phenol.
What is the SMILES notation for 2,4,6-tris(1-benzylimidazol-2-yl)phenol?
The canonical SMILES for 2,4,6-tris(1-benzylimidazol-2-yl)phenol is Oc1c(-c2nccn2Cc2ccccc2)cc(-c2nccn2Cc2ccccc2)cc1-c1nccn1Cc1ccccc1.
What is the InChIKey of 2,4,6-tris(1-benzylimidazol-2-yl)phenol?
The InChIKey is XBWBGICFUDRRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N6O/c43-33-31(35-38-17-20-41(35)25-28-12-6-2-7-13-28)22-30(34-37-16-19-40(34)24-27-10-4-1-5-11-27)23-32(33)36-39-18-21-42(36)26-29-14-8-3-9-15-29/h1-23,43H,24-26H2.
What are the key properties of 2,4,6-tris(1-benzylimidazol-2-yl)phenol?
2,4,6-tris(1-benzylimidazol-2-yl)phenol has a molecular weight of 562.68 g/mol, XLogP of 7.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1-benzylimidazol-2-yl)phenol is sourced from PubChem (CID 136721299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).