(4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone

C30H23FN2O4 — CID 2175437

IUPAC(4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccc(F)cc4)cc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C30H23FN2O4/c1-36-24-16-22(17-25(37-2)29(24)35)30-32-26(18-6-4-3-5-7-18)27(33-30)19-8-10-20(11-9-19)28(34)21-12-14-23(31)15-13-21/h3-17,35H,1-2H3,(H,32,33)
InChIKeyGIFLSZDIRDNRKN-UHFFFAOYSA-N
MW494.52 g/mol
LogP6.50
Rot. Bonds7

About (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone

(4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone (PubChem CID 2175437) has the molecular formula C30H23FN2O4 and a molecular weight of 494.52 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
PubChem CID2175437
Molecular FormulaC30H23FN2O4
Molecular Weight494.52 g/mol
Exact Mass494.16
IUPAC Name(4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccc(F)cc4)cc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C30H23FN2O4/c1-36-24-16-22(17-25(37-2)29(24)35)30-32-26(18-6-4-3-5-7-18)27(33-30)19-8-10-20(11-9-19)28(34)21-12-14-23(31)15-13-21/h3-17,35H,1-2H3,(H,32,33)
InChIKeyGIFLSZDIRDNRKN-UHFFFAOYSA-N
XLogP6.50
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone (CID 2175437) is (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone is COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccc(F)cc4)cc3)[nH]2)cc(OC)c1O.
What is the InChIKey of (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The InChIKey is GIFLSZDIRDNRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN2O4/c1-36-24-16-22(17-25(37-2)29(24)35)30-32-26(18-6-4-3-5-7-18)27(33-30)19-8-10-20(11-9-19)28(34)21-12-14-23(31)15-13-21/h3-17,35H,1-2H3,(H,32,33).
What are the key properties of (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
(4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone has a molecular weight of 494.52 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone is sourced from PubChem (CID 2175437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).