4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol

C23H20N6O — CID 1782

IUPAC4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol
SMILESOc1ccc(-c2nc3ccc(-c4nc5ccc(C6NCCN6)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29)
InChIKeySOARWAXWPUGSQA-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.67
Rot. Bonds3

About 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol

4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol (PubChem CID 1782) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol
PubChem CID1782
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol
SMILESOc1ccc(-c2nc3ccc(-c4nc5ccc(C6NCCN6)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29)
InChIKeySOARWAXWPUGSQA-UHFFFAOYSA-N
XLogP3.67
TPSA101.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
4-[6-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol;trihydrochloride
CID 159203040
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157105688
2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol
CID 81429590
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone
CID 137256868
4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504253

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol (CID 1782) is 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol is Oc1ccc(-c2nc3ccc(-c4nc5ccc(C6NCCN6)cc5[nH]4)cc3[nH]2)cc1.
What is the InChIKey of 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol?
The InChIKey is SOARWAXWPUGSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29).
What are the key properties of 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol?
4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol has a molecular weight of 396.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 1782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).