6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole

C25H28N8 — CID 67757354

IUPAC6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole
SMILESCCN1CCN=C1c1ccc2nc(Cc3nc4ccc(C5=NCCN5CC)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C25H28N8/c1-3-32-11-9-26-24(32)16-5-7-18-20(13-16)30-22(28-18)15-23-29-19-8-6-17(14-21(19)31-23)25-27-10-12-33(25)4-2/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyUPSSSLXIJGGILJ-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.19
Rot. Bonds6

About 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole

6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole (PubChem CID 67757354) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole
PubChem CID67757354
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole
SMILESCCN1CCN=C1c1ccc2nc(Cc3nc4ccc(C5=NCCN5CC)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C25H28N8/c1-3-32-11-9-26-24(32)16-5-7-18-20(13-16)30-22(28-18)15-23-29-19-8-6-17(14-21(19)31-23)25-27-10-12-33(25)4-2/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyUPSSSLXIJGGILJ-UHFFFAOYSA-N
XLogP3.19
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole 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 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole?
The IUPAC name of 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole (CID 67757354) is 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole is CCN1CCN=C1c1ccc2nc(Cc3nc4ccc(C5=NCCN5CC)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole?
The InChIKey is UPSSSLXIJGGILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-3-32-11-9-26-24(32)16-5-7-18-20(13-16)30-22(28-18)15-23-29-19-8-6-17(14-21(19)31-23)25-27-10-12-33(25)4-2/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole?
6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole has a molecular weight of 440.56 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-[[6-(1-ethyl-4,5-dihydroimidazol-2-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 67757354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).