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

C27H24N4O2 — CID 176843415

IUPAC2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol
SMILESOc1ccccc1N1CN(CN2CN(c3ccccc3O)c3ccccc32)c2ccccc21
InChIInChI=1S/C27H24N4O2/c32-26-15-7-5-13-24(26)30-18-28(20-9-1-3-11-22(20)30)17-29-19-31(23-12-4-2-10-21(23)29)25-14-6-8-16-27(25)33/h1-16,32-33H,17-19H2
InChIKeyFJKLZXVMKVSIQY-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.59
Rot. Bonds4

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

2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol (PubChem CID 176843415) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol
PubChem CID176843415
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol
SMILESOc1ccccc1N1CN(CN2CN(c3ccccc3O)c3ccccc32)c2ccccc21
InChIInChI=1S/C27H24N4O2/c32-26-15-7-5-13-24(26)30-18-28(20-9-1-3-11-22(20)30)17-29-19-31(23-12-4-2-10-21(23)29)25-14-6-8-16-27(25)33/h1-16,32-33H,17-19H2
InChIKeyFJKLZXVMKVSIQY-UHFFFAOYSA-N
XLogP5.59
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol?
The IUPAC name of 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol (CID 176843415) is 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol.
What is the SMILES notation for 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol?
The canonical SMILES for 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol is Oc1ccccc1N1CN(CN2CN(c3ccccc3O)c3ccccc32)c2ccccc21.
What is the InChIKey of 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol?
The InChIKey is FJKLZXVMKVSIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26-15-7-5-13-24(26)30-18-28(20-9-1-3-11-22(20)30)17-29-19-31(23-12-4-2-10-21(23)29)25-14-6-8-16-27(25)33/h1-16,32-33H,17-19H2.
What are the key properties of 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol?
2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol has a molecular weight of 436.52 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(2-hydroxyphenyl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]phenol is sourced from PubChem (CID 176843415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).