3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol

C38H26N4O4 — CID 122211363

IUPAC3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
SMILESOc1ccc(-c2ccc(O)cc2Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C38H26N4O4/c43-25-13-19-29(35(21-25)45-27-15-9-23(10-16-27)37-39-31-5-1-2-6-32(31)40-37)30-20-14-26(44)22-36(30)46-28-17-11-24(12-18-28)38-41-33-7-3-4-8-34(33)42-38/h1-22,43-44H,(H,39,40)(H,41,42)
InChIKeyFSDULYAQQOGGHL-UHFFFAOYSA-N
MW602.65 g/mol
LogP9.44
Rot. Bonds7

About 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol

3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol (PubChem CID 122211363) has the molecular formula C38H26N4O4 and a molecular weight of 602.65 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
PubChem CID122211363
Molecular FormulaC38H26N4O4
Molecular Weight602.65 g/mol
Exact Mass602.20
IUPAC Name3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
SMILESOc1ccc(-c2ccc(O)cc2Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C38H26N4O4/c43-25-13-19-29(35(21-25)45-27-15-9-23(10-16-27)37-39-31-5-1-2-6-32(31)40-37)30-20-14-26(44)22-36(30)46-28-17-11-24(12-18-28)38-41-33-7-3-4-8-34(33)42-38/h1-22,43-44H,(H,39,40)(H,41,42)
InChIKeyFSDULYAQQOGGHL-UHFFFAOYSA-N
XLogP9.44
TPSA116.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.65
LogP ≤ 59.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
CID 68842824
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2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 68842284
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol (CID 122211363) is 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol is Oc1ccc(-c2ccc(O)cc2Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol?
The InChIKey is FSDULYAQQOGGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O4/c43-25-13-19-29(35(21-25)45-27-15-9-23(10-16-27)37-39-31-5-1-2-6-32(31)40-37)30-20-14-26(44)22-36(30)46-28-17-11-24(12-18-28)38-41-33-7-3-4-8-34(33)42-38/h1-22,43-44H,(H,39,40)(H,41,42).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol?
3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol has a molecular weight of 602.65 g/mol, XLogP of 9.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol is sourced from PubChem (CID 122211363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).