2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol

C34H24N6O2 — CID 135470120

IUPAC2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc2[nH]c(-c3ccc(-c4nc5cc(/N=C/c6ccccc6O)ccc5[nH]4)cc3)nc2c1
InChIInChI=1S/C34H24N6O2/c41-31-7-3-1-5-23(31)19-35-25-13-15-27-29(17-25)39-33(37-27)21-9-11-22(12-10-21)34-38-28-16-14-26(18-30(28)40-34)36-20-24-6-2-4-8-32(24)42/h1-20,41-42H,(H,37,39)(H,38,40)/b35-19+,36-20+
InChIKeySNDFAYYOGSFCBU-CQFWSYKGSA-N
MW548.61 g/mol
LogP7.69
Rot. Bonds6

About 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol

2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol (PubChem CID 135470120) has the molecular formula C34H24N6O2 and a molecular weight of 548.61 g/mol. Its IUPAC name is 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol
PubChem CID135470120
Molecular FormulaC34H24N6O2
Molecular Weight548.61 g/mol
Exact Mass548.20
IUPAC Name2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc2[nH]c(-c3ccc(-c4nc5cc(/N=C/c6ccccc6O)ccc5[nH]4)cc3)nc2c1
InChIInChI=1S/C34H24N6O2/c41-31-7-3-1-5-23(31)19-35-25-13-15-27-29(17-25)39-33(37-27)21-9-11-22(12-10-21)34-38-28-16-14-26(18-30(28)40-34)36-20-24-6-2-4-8-32(24)42/h1-20,41-42H,(H,37,39)(H,38,40)/b35-19+,36-20+
InChIKeySNDFAYYOGSFCBU-CQFWSYKGSA-N
XLogP7.69
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 57.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol?
The IUPAC name of 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol (CID 135470120) is 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc2[nH]c(-c3ccc(-c4nc5cc(/N=C/c6ccccc6O)ccc5[nH]4)cc3)nc2c1.
What is the InChIKey of 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol?
The InChIKey is SNDFAYYOGSFCBU-CQFWSYKGSA-N. The full InChI is InChI=1S/C34H24N6O2/c41-31-7-3-1-5-23(31)19-35-25-13-15-27-29(17-25)39-33(37-27)21-9-11-22(12-10-21)34-38-28-16-14-26(18-30(28)40-34)36-20-24-6-2-4-8-32(24)42/h1-20,41-42H,(H,37,39)(H,38,40)/b35-19+,36-20+.
What are the key properties of 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol?
2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol has a molecular weight of 548.61 g/mol, XLogP of 7.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol is sourced from PubChem (CID 135470120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).