4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol

C18H14N4O — CID 2851797

IUPAC4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol
SMILESCn1c(/N=N/c2ccc(O)c3ccccc23)nc2ccccc21
InChIInChI=1S/C18H14N4O/c1-22-16-9-5-4-8-15(16)19-18(22)21-20-14-10-11-17(23)13-7-3-2-6-12(13)14/h2-11,23H,1H3/b21-20+
InChIKeyIBGRHQIMRFJCLE-QZQOTICOSA-N
MW302.34 g/mol
LogP4.85
Rot. Bonds2

About 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol

4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol (PubChem CID 2851797) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol
PubChem CID2851797
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol
SMILESCn1c(/N=N/c2ccc(O)c3ccccc23)nc2ccccc21
InChIInChI=1S/C18H14N4O/c1-22-16-9-5-4-8-15(16)19-18(22)21-20-14-10-11-17(23)13-7-3-2-6-12(13)14/h2-11,23H,1H3/b21-20+
InChIKeyIBGRHQIMRFJCLE-QZQOTICOSA-N
XLogP4.85
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
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

3-methoxy-4-[(1-methylbenzimidazol-2-yl)diazenyl]phenol
CID 3116455
1-[(1-methylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 680090
1,3-dimethyl-N-(1-methylbenzimidazol-2-yl)benzimidazol-2-imine
CID 58672187
N'-(1-methylbenzimidazol-2-yl)ethanimidamide
CID 144505597
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
CID 4238323
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
CID 3101801
2-bromo-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031247
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
1-benzyl-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 110954297
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol (CID 2851797) is 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol is Cn1c(/N=N/c2ccc(O)c3ccccc23)nc2ccccc21.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol?
The InChIKey is IBGRHQIMRFJCLE-QZQOTICOSA-N. The full InChI is InChI=1S/C18H14N4O/c1-22-16-9-5-4-8-15(16)19-18(22)21-20-14-10-11-17(23)13-7-3-2-6-12(13)14/h2-11,23H,1H3/b21-20+.
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol?
4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol has a molecular weight of 302.34 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 2851797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).