2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid

C23H18N4O2 — CID 135645739

IUPAC2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H18N4O2/c28-20(29)15-16-11-13-19(14-12-16)26-27-23-24-21(17-7-3-1-4-8-17)22(25-23)18-9-5-2-6-10-18/h1-14H,15H2,(H,24,25)(H,28,29)/b27-26+
InChIKeyGAQIBDKSPHCKCG-CYYJNZCTSA-N
MW382.42 g/mol
LogP5.79
Rot. Bonds6

About 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid

2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid (PubChem CID 135645739) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid
PubChem CID135645739
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H18N4O2/c28-20(29)15-16-11-13-19(14-12-16)26-27-23-24-21(17-7-3-1-4-8-17)22(25-23)18-9-5-2-6-10-18/h1-14H,15H2,(H,24,25)(H,28,29)/b27-26+
InChIKeyGAQIBDKSPHCKCG-CYYJNZCTSA-N
XLogP5.79
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.79
H-Bond Donors ≤ 52
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

5-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenylpentan-2-one
CID 91321669
2-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]-4-nitrophenol
CID 137254443
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
1-(4,5-diphenyl-1H-imidazol-2-yl)-2-hydroxyethanone
CID 67414953
(4,5-diphenyl-1H-imidazol-2-yl)methanol
CID 63926988
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 28914610
naphthalene;2-phenylacetic acid
CID 174965541
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
2-phenylacetic acid;silver
CID 50912513
tris(2-phenylacetic acid);rhodium
CID 11168112
2-(4,5-diphenyl-1H-imidazol-2-yl)-1-morpholin-4-ylethanone
CID 54562196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid (CID 135645739) is 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid is O=C(O)Cc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid?
The InChIKey is GAQIBDKSPHCKCG-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-20(29)15-16-11-13-19(14-12-16)26-27-23-24-21(17-7-3-1-4-8-17)22(25-23)18-9-5-2-6-10-18/h1-14H,15H2,(H,24,25)(H,28,29)/b27-26+.
What are the key properties of 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid?
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid has a molecular weight of 382.42 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid is sourced from PubChem (CID 135645739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).