4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol

C24H18N6O2 — CID 146350331

IUPAC4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc3c(c2)nc(-c2ccccn2)n3Cc2ccccn2)c(O)c1
InChIInChI=1S/C24H18N6O2/c31-18-8-9-19(23(32)14-18)29-28-16-7-10-22-21(13-16)27-24(20-6-2-4-12-26-20)30(22)15-17-5-1-3-11-25-17/h1-14,31-32H,15H2/b29-28+
InChIKeyBKWFMBHDEQEOFV-ZQHSETAFSA-N
MW422.45 g/mol
LogP5.37
Rot. Bonds5

About 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol

4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol (PubChem CID 146350331) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol
PubChem CID146350331
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc3c(c2)nc(-c2ccccn2)n3Cc2ccccn2)c(O)c1
InChIInChI=1S/C24H18N6O2/c31-18-8-9-19(23(32)14-18)29-28-16-7-10-22-21(13-16)27-24(20-6-2-4-12-26-20)30(22)15-17-5-1-3-11-25-17/h1-14,31-32H,15H2/b29-28+
InChIKeyBKWFMBHDEQEOFV-ZQHSETAFSA-N
XLogP5.37
TPSA108.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 175952620
4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
CID 158518155
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole
CID 134126891
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
CID 89031622
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole
CID 67473012
1-[[2-[bis(pyridin-2-ylmethyl)amino]-5-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]naphthalene-2,6-diol
CID 146993534
nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
3-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)propanoic acid
CID 82145355
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
CID 3984875

Frequently Asked Questions

What is the IUPAC name of 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol (CID 146350331) is 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol is Oc1ccc(/N=N/c2ccc3c(c2)nc(-c2ccccn2)n3Cc2ccccn2)c(O)c1.
What is the InChIKey of 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol?
The InChIKey is BKWFMBHDEQEOFV-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-18-8-9-19(23(32)14-18)29-28-16-7-10-22-21(13-16)27-24(20-6-2-4-12-26-20)30(22)15-17-5-1-3-11-25-17/h1-14,31-32H,15H2/b29-28+.
What are the key properties of 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol?
4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol has a molecular weight of 422.45 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-pyridin-2-yl-1-(pyridin-2-ylmethyl)benzimidazol-5-yl]diazenyl]benzene-1,3-diol is sourced from PubChem (CID 146350331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).