(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene

C15H16N4 — CID 71367798

IUPAC(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene
SMILESCN1c2ccccc2N(C)C1/N=N/c1ccccc1
InChIInChI=1S/C15H16N4/c1-18-13-10-6-7-11-14(13)19(2)15(18)17-16-12-8-4-3-5-9-12/h3-11,15H,1-2H3/b17-16+
InChIKeyACRUUFSDMXHBPJ-WUKNDPDISA-N
MW252.32 g/mol
LogP3.64
Rot. Bonds2

About (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene

(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene (PubChem CID 71367798) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene.

Molecular Properties

Compound Name(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene
PubChem CID71367798
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene
SMILESCN1c2ccccc2N(C)C1/N=N/c1ccccc1
InChIInChI=1S/C15H16N4/c1-18-13-10-6-7-11-14(13)19(2)15(18)17-16-12-8-4-3-5-9-12/h3-11,15H,1-2H3/b17-16+
InChIKeyACRUUFSDMXHBPJ-WUKNDPDISA-N
XLogP3.64
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
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

diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
2-methoxy-1,3-dimethyl-2H-benzimidazole
CID 58577333
4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]-N-(2-phenylethyl)aniline
CID 57351097
phenyl-(1,3,3-trimethyl-4-methylidene-2,3a-dihydroindol-2-yl)diazene
CID 170842565
1,3-dimethyl-2-(1-phenylpyridin-1-ium-4-yl)-2H-benzimidazole
CID 164545217
1,3-dimethyl-N-phenyl-2,3-dihydroquinolin-4-imine
CID 3756042
1,2,4-trimethyl-2H-quinoline
CID 19781411
1-methyl-3-phenyliminoindol-2-one
CID 11218587
[(3-methyl-1,3-benzothiazol-2-ylidene)-phenyldiazenylmethyl]-phenyldiazene
CID 154090160
(4S)-3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazole-1-carbothioamide
CID 92539911
(1,3-dimethyl-2H-benzimidazol-2-yl)methyl-triphenylphosphanium
CID 132604281

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene?
The IUPAC name of (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene (CID 71367798) is (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene.
What is the SMILES notation for (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene?
The canonical SMILES for (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene is CN1c2ccccc2N(C)C1/N=N/c1ccccc1.
What is the InChIKey of (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene?
The InChIKey is ACRUUFSDMXHBPJ-WUKNDPDISA-N. The full InChI is InChI=1S/C15H16N4/c1-18-13-10-6-7-11-14(13)19(2)15(18)17-16-12-8-4-3-5-9-12/h3-11,15H,1-2H3/b17-16+.
What are the key properties of (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene?
(1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene has a molecular weight of 252.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2H-benzimidazol-2-yl)-phenyldiazene is sourced from PubChem (CID 71367798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).