5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol

C22H20FN3O2 — CID 91462064

IUPAC5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
SMILESOc1c(-c2ccccc2)c(-c2ccccc2F)n(CCCn2ccnc2)c1O
InChIInChI=1S/C22H20FN3O2/c23-18-10-5-4-9-17(18)20-19(16-7-2-1-3-8-16)21(27)22(28)26(20)13-6-12-25-14-11-24-15-25/h1-5,7-11,14-15,27-28H,6,12-13H2
InChIKeyZGJJFWKVROYCCA-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.66
Rot. Bonds6

About 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol

5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol (PubChem CID 91462064) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
PubChem CID91462064
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
SMILESOc1c(-c2ccccc2)c(-c2ccccc2F)n(CCCn2ccnc2)c1O
InChIInChI=1S/C22H20FN3O2/c23-18-10-5-4-9-17(18)20-19(16-7-2-1-3-8-16)21(27)22(28)26(20)13-6-12-25-14-11-24-15-25/h1-5,7-11,14-15,27-28H,6,12-13H2
InChIKeyZGJJFWKVROYCCA-UHFFFAOYSA-N
XLogP4.66
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol (CID 91462064) is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The canonical SMILES for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol is Oc1c(-c2ccccc2)c(-c2ccccc2F)n(CCCn2ccnc2)c1O.
What is the InChIKey of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
The InChIKey is ZGJJFWKVROYCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-18-10-5-4-9-17(18)20-19(16-7-2-1-3-8-16)21(27)22(28)26(20)13-6-12-25-14-11-24-15-25/h1-5,7-11,14-15,27-28H,6,12-13H2.
What are the key properties of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol?
5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol has a molecular weight of 377.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol is sourced from PubChem (CID 91462064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).