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

C20H16N4O2 — CID 136742412

IUPAC2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
SMILESCOc1cccc(/N=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C20H16N4O2/c1-26-15-6-4-5-13(11-15)23-24-14-9-10-19(25)16(12-14)20-21-17-7-2-3-8-18(17)22-20/h2-12,25H,1H3,(H,21,22)/b24-23+
InChIKeyYIGWHKVKVQMMFB-WCWDXBQESA-N
MW344.37 g/mol
LogP5.36
Rot. Bonds4

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

2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol (PubChem CID 136742412) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
PubChem CID136742412
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol
SMILESCOc1cccc(/N=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C20H16N4O2/c1-26-15-6-4-5-13(11-15)23-24-14-9-10-19(25)16(12-14)20-21-17-7-2-3-8-18(17)22-20/h2-12,25H,1H3,(H,21,22)/b24-23+
InChIKeyYIGWHKVKVQMMFB-WCWDXBQESA-N
XLogP5.36
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyphenol
CID 135463022
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410
2-(1H-benzimidazol-2-yl)-4-[(2-methylphenyl)diazenyl]phenol
CID 136742408
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-[4-(3-methoxyphenyl)sulfanylphenyl]-1H-benzimidazole
CID 68837833
2-(1H-benzimidazol-2-yl)-4-methoxy-6-(2-methylprop-2-enyl)phenol
CID 135470369
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
3-(1H-benzimidazol-2-yl)-6-methoxy-N-(4-methylphenyl)chromen-2-imine
CID 5128973
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
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 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol (CID 136742412) is 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol is COc1cccc(/N=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol?
The InChIKey is YIGWHKVKVQMMFB-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-15-6-4-5-13(11-15)23-24-14-9-10-19(25)16(12-14)20-21-17-7-2-3-8-18(17)22-20/h2-12,25H,1H3,(H,21,22)/b24-23+.
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol?
2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol has a molecular weight of 344.37 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-[(3-methoxyphenyl)diazenyl]phenol is sourced from PubChem (CID 136742412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).