2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene

C27H20ClN2OP — CID 174850878

IUPAC2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.O=Pc1ccccc1
InChIInChI=1S/C21H15ClN2.C6H5OP/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16;7-8-6-4-2-1-3-5-6/h1-14H,(H,23,24);1-5H
InChIKeyWHGPZUQDPABJRH-UHFFFAOYSA-N
MW454.90 g/mol
LogP7.67
Rot. Bonds4

About 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene

2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene (PubChem CID 174850878) has the molecular formula C27H20ClN2OP and a molecular weight of 454.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene
PubChem CID174850878
Molecular FormulaC27H20ClN2OP
Molecular Weight454.90 g/mol
Exact Mass454.10
IUPAC Name2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.O=Pc1ccccc1
InChIInChI=1S/C21H15ClN2.C6H5OP/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16;7-8-6-4-2-1-3-5-6/h1-14H,(H,23,24);1-5H
InChIKeyWHGPZUQDPABJRH-UHFFFAOYSA-N
XLogP7.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.90
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene?
The IUPAC name of 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene (CID 174850878) is 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene.
What is the SMILES notation for 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene?
The canonical SMILES for 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene is Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.O=Pc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene?
The InChIKey is WHGPZUQDPABJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2.C6H5OP/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16;7-8-6-4-2-1-3-5-6/h1-14H,(H,23,24);1-5H.
What are the key properties of 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene?
2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene has a molecular weight of 454.90 g/mol, XLogP of 7.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene is sourced from PubChem (CID 174850878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).