(4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol

C22H16ClFN2O2 — CID 46942723

IUPAC(4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol
SMILESOC(c1ccc(Cl)c(F)c1)c1ncc(-c2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C22H16ClFN2O2/c23-18-11-8-15(12-19(18)24)21(27)22-25-13-20(26-22)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-13,21,27H,(H,25,26)
InChIKeyBJMDEBXRNXBARP-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.74
Rot. Bonds5

About (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol

(4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol (PubChem CID 46942723) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol
PubChem CID46942723
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC Name(4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol
SMILESOC(c1ccc(Cl)c(F)c1)c1ncc(-c2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C22H16ClFN2O2/c23-18-11-8-15(12-19(18)24)21(27)22-25-13-20(26-22)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-13,21,27H,(H,25,26)
InChIKeyBJMDEBXRNXBARP-UHFFFAOYSA-N
XLogP5.74
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol?
The IUPAC name of (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol (CID 46942723) is (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol is OC(c1ccc(Cl)c(F)c1)c1ncc(-c2ccc(Oc3ccccc3)cc2)[nH]1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol?
The InChIKey is BJMDEBXRNXBARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c23-18-11-8-15(12-19(18)24)21(27)22-25-13-20(26-22)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-13,21,27H,(H,25,26).
What are the key properties of (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol?
(4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol has a molecular weight of 394.83 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 46942723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).