3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol

C19H15N5O — CID 135585466

IUPAC3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol
SMILESNc1cc(O)ccc1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H15N5O/c20-15-11-14(25)9-10-16(15)24-23-13-7-5-12(6-8-13)19-21-17-3-1-2-4-18(17)22-19/h1-11,25H,20H2,(H,21,22)/b24-23+
InChIKeyWKWFCUGTSWDBLA-WCWDXBQESA-N
MW329.36 g/mol
LogP4.93
Rot. Bonds3

About 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol

3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol (PubChem CID 135585466) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol
PubChem CID135585466
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol
SMILESNc1cc(O)ccc1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H15N5O/c20-15-11-14(25)9-10-16(15)24-23-13-7-5-12(6-8-13)19-21-17-3-1-2-4-18(17)22-19/h1-11,25H,20H2,(H,21,22)/b24-23+
InChIKeyWKWFCUGTSWDBLA-WCWDXBQESA-N
XLogP4.93
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410
2-(1H-benzimidazol-2-yl)-4-[(2-methylphenyl)diazenyl]phenol
CID 136742408
disodium;4-amino-3-[[4-[5-[(2,4-diaminophenyl)diazenyl]-1H-benzimidazol-2-yl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate
CID 135854003
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
CID 122211363
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol?
The IUPAC name of 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol (CID 135585466) is 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol.
What is the SMILES notation for 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol?
The canonical SMILES for 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol is Nc1cc(O)ccc1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol?
The InChIKey is WKWFCUGTSWDBLA-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15N5O/c20-15-11-14(25)9-10-16(15)24-23-13-7-5-12(6-8-13)19-21-17-3-1-2-4-18(17)22-19/h1-11,25H,20H2,(H,21,22)/b24-23+.
What are the key properties of 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol?
3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol has a molecular weight of 329.36 g/mol, XLogP of 4.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol is sourced from PubChem (CID 135585466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).