(5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene

C11H9N5 — CID 135733604

IUPAC(5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene
SMILES[C-]#[N+]c1[nH]c(C)nc1/N=N/c1ccccc1
InChIInChI=1S/C11H9N5/c1-8-13-10(12-2)11(14-8)16-15-9-6-4-3-5-7-9/h3-7H,1H3,(H,13,14)/b16-15+
InChIKeyFQYGFJLONJVGEL-FOCLMDBBSA-N
MW211.23 g/mol
LogP3.68
Rot. Bonds2

About (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene

(5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene (PubChem CID 135733604) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene.

Molecular Properties

Compound Name(5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene
PubChem CID135733604
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name(5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene
SMILES[C-]#[N+]c1[nH]c(C)nc1/N=N/c1ccccc1
InChIInChI=1S/C11H9N5/c1-8-13-10(12-2)11(14-8)16-15-9-6-4-3-5-7-9/h3-7H,1H3,(H,13,14)/b16-15+
InChIKeyFQYGFJLONJVGEL-FOCLMDBBSA-N
XLogP3.68
TPSA57.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-phenyldiazene
CID 14222602
diphenyldiazene;hydrofluoride
CID 174857584
6-methyl-5-phenyldiazenyl-1H-pyrimidine-2-thione
CID 136815031
bis(diphenyldiazene);uranium;vanadium
CID 158886927
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271
[2-[methyl(diphenyl)silyl]phenyl]-phenyldiazene
CID 139118290
(4-methyl-3-pyridinyl)-phenyldiazene
CID 121008479
2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile
CID 136623282
diphenyldiazene;oxalonitrile
CID 174439181
diphenyldiazene;naphthalen-1-amine
CID 159387194
3-(4-methoxyphenyl)-2-phenyl-5-phenyldiazenylimidazol-4-ol
CID 135837228
[3-hydroxy-2-methyl-6-phenyldiazenyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl dihydrogen phosphate
CID 135515192

Frequently Asked Questions

What is the IUPAC name of (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene?
The IUPAC name of (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene (CID 135733604) is (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene.
What is the SMILES notation for (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene?
The canonical SMILES for (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene is [C-]#[N+]c1[nH]c(C)nc1/N=N/c1ccccc1.
What is the InChIKey of (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene?
The InChIKey is FQYGFJLONJVGEL-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H9N5/c1-8-13-10(12-2)11(14-8)16-15-9-6-4-3-5-7-9/h3-7H,1H3,(H,13,14)/b16-15+.
What are the key properties of (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene?
(5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene has a molecular weight of 211.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-isocyano-2-methyl-1H-imidazol-4-yl)-phenyldiazene is sourced from PubChem (CID 135733604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).