2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole

C21H15ClN2 — CID 689900

IUPAC2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole
SMILESClc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C21H15ClN2/c22-18-13-7-12-17(14-18)21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-14H,(H,23,24)
InChIKeyYXMFBWYRZZVABQ-UHFFFAOYSA-N
MW330.82 g/mol
LogP6.06
Rot. Bonds3

About 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole

2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole (PubChem CID 689900) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole
PubChem CID689900
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole
SMILESClc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C21H15ClN2/c22-18-13-7-12-17(14-18)21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-14H,(H,23,24)
InChIKeyYXMFBWYRZZVABQ-UHFFFAOYSA-N
XLogP6.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole (CID 689900) is 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole is Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is YXMFBWYRZZVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2/c22-18-13-7-12-17(14-18)21-23-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-14H,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole?
2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 330.82 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 689900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).