2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol

C26H18N4O2 — CID 159684416

IUPAC2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5O)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C26H18N4O2/c31-23-7-3-1-5-17(23)25-27-19-11-9-15(13-21(19)29-25)16-10-12-20-22(14-16)30-26(28-20)18-6-2-4-8-24(18)32/h1-14,31-32H,(H,27,29)(H,28,30)
InChIKeyKKUCMLCDQLNGKL-UHFFFAOYSA-N
MW418.46 g/mol
LogP5.85
Rot. Bonds3

About 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol

2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol (PubChem CID 159684416) has the molecular formula C26H18N4O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
PubChem CID159684416
Molecular FormulaC26H18N4O2
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC Name2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5O)[nH]c4c3)cc2[nH]1
InChIInChI=1S/C26H18N4O2/c31-23-7-3-1-5-17(23)25-27-19-11-9-15(13-21(19)29-25)16-10-12-20-22(14-16)30-26(28-20)18-6-2-4-8-24(18)32/h1-14,31-32H,(H,27,29)(H,28,30)
InChIKeyKKUCMLCDQLNGKL-UHFFFAOYSA-N
XLogP5.85
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 55.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol
CID 137252031
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-(2-iodophenyl)-3H-benzimidazol-5-ol
CID 81431209
2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
CID 140987224
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol (CID 159684416) is 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol is Oc1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5O)[nH]c4c3)cc2[nH]1.
What is the InChIKey of 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol?
The InChIKey is KKUCMLCDQLNGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2/c31-23-7-3-1-5-17(23)25-27-19-11-9-15(13-21(19)29-25)16-10-12-20-22(14-16)30-26(28-20)18-6-2-4-8-24(18)32/h1-14,31-32H,(H,27,29)(H,28,30).
What are the key properties of 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol?
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol has a molecular weight of 418.46 g/mol, XLogP of 5.85, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 159684416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).