1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole

C22H22N8 — CID 58825422

IUPAC1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole
SMILESc1cn(Cc2cc(Cn3ccnc3)c(Cn3ccnc3)cc2Cn2ccnc2)cn1
InChIInChI=1S/C22H22N8/c1-5-27(15-23-1)11-19-9-21(13-29-7-3-25-17-29)22(14-30-8-4-26-18-30)10-20(19)12-28-6-2-24-16-28/h1-10,15-18H,11-14H2
InChIKeyYSFJZLVJLAOPGF-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.67
Rot. Bonds8

About 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole

1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole (PubChem CID 58825422) has the molecular formula C22H22N8 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole
PubChem CID58825422
Molecular FormulaC22H22N8
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC Name1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole
SMILESc1cn(Cc2cc(Cn3ccnc3)c(Cn3ccnc3)cc2Cn2ccnc2)cn1
InChIInChI=1S/C22H22N8/c1-5-27(15-23-1)11-19-9-21(13-29-7-3-25-17-29)22(14-30-8-4-26-18-30)10-20(19)12-28-6-2-24-16-28/h1-10,15-18H,11-14H2
InChIKeyYSFJZLVJLAOPGF-UHFFFAOYSA-N
XLogP2.67
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 12229396
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CID 18976090
1H-Imidazole, 1-[(2,4,6-trimethylphenyl)methyl]-
CID 583968
1,1'-[(2,5-dimethylbenzene-1,4-diyl)dimethanediyl]bis(1H-imidazole)
CID 658311
1-Biphenyl-2-ylmethyl-1H-imidazole
CID 18668566
1-Methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium diiodide
CID 46184873
1-Benzyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium bromide
CID 46927943
1-Pentamethylphenylmethyl-1H-imidazole
CID 53322953
1-Biphenyl-3-ylmethyl-1H-imidazole
CID 53324450
1-[4-[4-(4-Imidazol-1-ylbutyl)phenyl]butyl]imidazole
CID 58580476
1-[(3,5-Diphenylphenyl)methyl]imidazole
CID 53323093

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
The IUPAC name of 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole (CID 58825422) is 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole is c1cn(Cc2cc(Cn3ccnc3)c(Cn3ccnc3)cc2Cn2ccnc2)cn1.
What is the InChIKey of 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
The InChIKey is YSFJZLVJLAOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8/c1-5-27(15-23-1)11-19-9-21(13-29-7-3-25-17-29)22(14-30-8-4-26-18-30)10-20(19)12-28-6-2-24-16-28/h1-10,15-18H,11-14H2.
What are the key properties of 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole?
1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole has a molecular weight of 398.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 58825422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).