2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol

C20H16N4O — CID 136742410

IUPAC2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
SMILESCc1ccc(/N=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C20H16N4O/c1-13-6-8-14(9-7-13)23-24-15-10-11-19(25)16(12-15)20-21-17-4-2-3-5-18(17)22-20/h2-12,25H,1H3,(H,21,22)/b24-23+
InChIKeyHUGGTWJNMDMLLN-WCWDXBQESA-N
MW328.38 g/mol
LogP5.66
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol

2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol (PubChem CID 136742410) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
PubChem CID136742410
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
SMILESCc1ccc(/N=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C20H16N4O/c1-13-6-8-14(9-7-13)23-24-15-10-11-19(25)16(12-15)20-21-17-4-2-3-5-18(17)22-20/h2-12,25H,1H3,(H,21,22)/b24-23+
InChIKeyHUGGTWJNMDMLLN-WCWDXBQESA-N
XLogP5.66
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.38
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(1H-benzimidazol-2-yl)-4-[(2-methylphenyl)diazenyl]phenol
CID 136742408
2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136742412
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
3-amino-4-[[4-(1H-benzimidazol-2-yl)phenyl]diazenyl]phenol
CID 135585466
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
CID 168554061
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 177450636
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-[[4-hydroxy-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]iminomethyl]-4,6-diiodophenol
CID 4025324

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol (CID 136742410) is 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol is Cc1ccc(/N=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol?
The InChIKey is HUGGTWJNMDMLLN-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-6-8-14(9-7-13)23-24-15-10-11-19(25)16(12-15)20-21-17-4-2-3-5-18(17)22-20/h2-12,25H,1H3,(H,21,22)/b24-23+.
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol?
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol has a molecular weight of 328.38 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol is sourced from PubChem (CID 136742410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).