[4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone

C28H17Cl2FN2O — CID 2208228

IUPAC[4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H17Cl2FN2O/c29-21-12-15-23(24(30)16-21)28-32-25(17-4-2-1-3-5-17)26(33-28)18-6-8-19(9-7-18)27(34)20-10-13-22(31)14-11-20/h1-16H,(H,32,33)
InChIKeyNTXRWPOZHNSSOY-UHFFFAOYSA-N
MW487.36 g/mol
LogP8.09
Rot. Bonds5

About [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone

[4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 2208228) has the molecular formula C28H17Cl2FN2O and a molecular weight of 487.36 g/mol. Its IUPAC name is [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone
PubChem CID2208228
Molecular FormulaC28H17Cl2FN2O
Molecular Weight487.36 g/mol
Exact Mass486.07
IUPAC Name[4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C28H17Cl2FN2O/c29-21-12-15-23(24(30)16-21)28-32-25(17-4-2-1-3-5-17)26(33-28)18-6-8-19(9-7-18)27(34)20-10-13-22(31)14-11-20/h1-16H,(H,32,33)
InChIKeyNTXRWPOZHNSSOY-UHFFFAOYSA-N
XLogP8.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.36
LogP ≤ 58.09
H-Bond Donors ≤ 51
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 [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone (CID 2208228) is [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is NTXRWPOZHNSSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17Cl2FN2O/c29-21-12-15-23(24(30)16-21)28-32-25(17-4-2-1-3-5-17)26(33-28)18-6-8-19(9-7-18)27(34)20-10-13-22(31)14-11-20/h1-16H,(H,32,33).
What are the key properties of [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone?
[4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 487.36 g/mol, XLogP of 8.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 2208228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).