3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

C29H21N3O — CID 4207500

IUPAC3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESc1ccc(Oc2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H21N3O/c1-3-9-20(10-4-1)27-28(21-15-17-23(18-16-21)33-22-11-5-2-6-12-22)32-29(31-27)25-19-30-26-14-8-7-13-24(25)26/h1-19,30H,(H,31,32)
InChIKeyGBDNILIHZRREQM-UHFFFAOYSA-N
MW427.51 g/mol
LogP7.68
Rot. Bonds5

About 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 4207500) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID4207500
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESc1ccc(Oc2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H21N3O/c1-3-9-20(10-4-1)27-28(21-15-17-23(18-16-21)33-22-11-5-2-6-12-22)32-29(31-27)25-19-30-26-14-8-7-13-24(25)26/h1-19,30H,(H,31,32)
InChIKeyGBDNILIHZRREQM-UHFFFAOYSA-N
XLogP7.68
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (CID 4207500) is 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is c1ccc(Oc2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is GBDNILIHZRREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-3-9-20(10-4-1)27-28(21-15-17-23(18-16-21)33-22-11-5-2-6-12-22)32-29(31-27)25-19-30-26-14-8-7-13-24(25)26/h1-19,30H,(H,31,32).
What are the key properties of 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 427.51 g/mol, XLogP of 7.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 4207500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).