2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol

C15H14N4O2 — CID 155694609

IUPAC2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol
SMILESCNc1ccc(O)c2c1=NC(C)(c1ccc(N=O)cc1)N=2
InChIInChI=1S/C15H14N4O2/c1-15(9-3-5-10(19-21)6-4-9)17-13-11(16-2)7-8-12(20)14(13)18-15/h3-8,16,20H,1-2H3
InChIKeyUTAVBGFTSNABIY-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.96
Rot. Bonds3

About 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol

2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol (PubChem CID 155694609) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol.

Molecular Properties

Compound Name2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol
PubChem CID155694609
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol
SMILESCNc1ccc(O)c2c1=NC(C)(c1ccc(N=O)cc1)N=2
InChIInChI=1S/C15H14N4O2/c1-15(9-3-5-10(19-21)6-4-9)17-13-11(16-2)7-8-12(20)14(13)18-15/h3-8,16,20H,1-2H3
InChIKeyUTAVBGFTSNABIY-UHFFFAOYSA-N
XLogP1.96
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol?
The IUPAC name of 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol (CID 155694609) is 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol.
What is the SMILES notation for 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol?
The canonical SMILES for 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol is CNc1ccc(O)c2c1=NC(C)(c1ccc(N=O)cc1)N=2.
What is the InChIKey of 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol?
The InChIKey is UTAVBGFTSNABIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-15(9-3-5-10(19-21)6-4-9)17-13-11(16-2)7-8-12(20)14(13)18-15/h3-8,16,20H,1-2H3.
What are the key properties of 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol?
2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol has a molecular weight of 282.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(methylamino)-2-(4-nitrosophenyl)benzimidazol-4-ol is sourced from PubChem (CID 155694609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).