2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol

C29H25N3O3 — CID 139080641

IUPAC2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1OCCCn1c(-c2ccccc2O)nc2ccccc21
InChIInChI=1S/C29H25N3O3/c33-26-15-6-1-10-21(26)20-30-24-13-4-8-17-28(24)35-19-9-18-32-25-14-5-3-12-23(25)31-29(32)22-11-2-7-16-27(22)34/h1-8,10-17,20,33-34H,9,18-19H2/b30-20+
InChIKeyAHWOCTASRWTLFJ-TWKHWXDSSA-N
MW463.54 g/mol
LogP6.33
Rot. Bonds8

About 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol

2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol (PubChem CID 139080641) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol
PubChem CID139080641
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccccc1OCCCn1c(-c2ccccc2O)nc2ccccc21
InChIInChI=1S/C29H25N3O3/c33-26-15-6-1-10-21(26)20-30-24-13-4-8-17-28(24)35-19-9-18-32-25-14-5-3-12-23(25)31-29(32)22-11-2-7-16-27(22)34/h1-8,10-17,20,33-34H,9,18-19H2/b30-20+
InChIKeyAHWOCTASRWTLFJ-TWKHWXDSSA-N
XLogP6.33
TPSA79.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-methylbenzimidazol-2-yl)phenyl]iminomethyl]phenol;dihydrate
CID 139199113
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879150
2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 19243390
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 17002166
3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 82809436
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
CID 82144688
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol (CID 139080641) is 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccccc1OCCCn1c(-c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol?
The InChIKey is AHWOCTASRWTLFJ-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H25N3O3/c33-26-15-6-1-10-21(26)20-30-24-13-4-8-17-28(24)35-19-9-18-32-25-14-5-3-12-23(25)31-29(32)22-11-2-7-16-27(22)34/h1-8,10-17,20,33-34H,9,18-19H2/b30-20+.
What are the key properties of 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol?
2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol has a molecular weight of 463.54 g/mol, XLogP of 6.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[2-(2-hydroxyphenyl)benzimidazol-1-yl]propoxy]phenyl]iminomethyl]phenol is sourced from PubChem (CID 139080641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).