(4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene

C22H18N4O — CID 2859015

IUPAC(4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene
SMILESCOc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H18N4O/c1-27-19-15-9-8-14-18(19)25-26-22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)/b26-25+
InChIKeyISTFTATZQQNYEU-OCEACIFDSA-N
MW354.41 g/mol
LogP6.17
Rot. Bonds5

About (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene

(4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene (PubChem CID 2859015) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene.

Molecular Properties

Compound Name(4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene
PubChem CID2859015
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name(4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene
SMILESCOc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H18N4O/c1-27-19-15-9-8-14-18(19)25-26-22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)/b26-25+
InChIKeyISTFTATZQQNYEU-OCEACIFDSA-N
XLogP6.17
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 56.17
H-Bond Donors ≤ 51
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 (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene?
The IUPAC name of (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene (CID 2859015) is (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene.
What is the SMILES notation for (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene?
The canonical SMILES for (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene is COc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene?
The InChIKey is ISTFTATZQQNYEU-OCEACIFDSA-N. The full InChI is InChI=1S/C22H18N4O/c1-27-19-15-9-8-14-18(19)25-26-22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)/b26-25+.
What are the key properties of (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene?
(4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene has a molecular weight of 354.41 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyl-1H-imidazol-2-yl)-(2-methoxyphenyl)diazene is sourced from PubChem (CID 2859015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).