[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene

C17H18N4 — CID 139444730

IUPAC[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene
SMILESCN1C=CN(Cc2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H18N4/c1-20-11-12-21(14-20)13-15-7-9-17(10-8-15)19-18-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b19-18+
InChIKeyDPSDDEQQSPRNKI-VHEBQXMUSA-N
MW278.36 g/mol
LogP4.28
Rot. Bonds4

About [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene

[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene (PubChem CID 139444730) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene.

Molecular Properties

Compound Name[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene
PubChem CID139444730
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene
SMILESCN1C=CN(Cc2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C17H18N4/c1-20-11-12-21(14-20)13-15-7-9-17(10-8-15)19-18-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b19-18+
InChIKeyDPSDDEQQSPRNKI-VHEBQXMUSA-N
XLogP4.28
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene?
The IUPAC name of [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene (CID 139444730) is [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene.
What is the SMILES notation for [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene?
The canonical SMILES for [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene is CN1C=CN(Cc2ccc(/N=N/c3ccccc3)cc2)C1.
What is the InChIKey of [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene?
The InChIKey is DPSDDEQQSPRNKI-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N4/c1-20-11-12-21(14-20)13-15-7-9-17(10-8-15)19-18-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b19-18+.
What are the key properties of [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene?
[4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene has a molecular weight of 278.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl]-phenyldiazene is sourced from PubChem (CID 139444730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).