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

C19H22FN3O2 — CID 90836546

IUPAC5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
SMILESCC(C)c1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1F
InChIInChI=1S/C19H22FN3O2/c1-13(2)16-17(14-6-3-4-7-15(14)20)23(19(25)18(16)24)10-5-9-22-11-8-21-12-22/h3-4,6-8,11-13,24-25H,5,9-10H2,1-2H3
InChIKeyNRRIFAZGGBCDKL-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.12
Rot. Bonds6

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

5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol (PubChem CID 90836546) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
PubChem CID90836546
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
SMILESCC(C)c1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1F
InChIInChI=1S/C19H22FN3O2/c1-13(2)16-17(14-6-3-4-7-15(14)20)23(19(25)18(16)24)10-5-9-22-11-8-21-12-22/h3-4,6-8,11-13,24-25H,5,9-10H2,1-2H3
InChIKeyNRRIFAZGGBCDKL-UHFFFAOYSA-N
XLogP4.12
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-{1-[(1-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}pyridin-2-yl)phenol
CID 50954402
4-Fluoro-1-(3-imidazol-1-ylpropyl)-5-pentylpyrrole-2,3-diol
CID 90713228
1-(3H-benzimidazol-5-yl)-5-(3-fluorophenyl)-4-pentylpyrrole-2,3-diol
CID 90717514
4-[4-[2-(4-Fluorophenyl)ethyl]-2-pyridinyl]-1-methylpyrrole-2,3-diol
CID 90726119
5-(2-Fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol
CID 90774375
4-Ethyl-1-(3-imidazol-1-ylpropyl)-5-(trifluoromethyl)pyrrole-2,3-diol
CID 90886584
4-Ethyl-5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)pyrrole-2,3-diol
CID 90901969
1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-pentylpyrrole-2,3-diol
CID 91010263
1-(3H-benzimidazol-5-yl)-4-propan-2-yl-5-(2,3,5-trifluorophenyl)pyrrole-2,3-diol
CID 91188580
1-(3-Imidazol-1-ylpropyl)-4-phenyl-5-(trifluoromethyl)pyrrole-2,3-diol
CID 91214260
1-(3-Imidazol-1-ylpropyl)-4-methyl-5-(trifluoromethyl)pyrrole-2,3-diol
CID 91233946
4-[5-[2-(4-Fluorophenyl)ethyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol
CID 91247446

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?
The IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol (CID 90836546) is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?
The canonical SMILES for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol is CC(C)c1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?
The InChIKey is NRRIFAZGGBCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(2)16-17(14-6-3-4-7-15(14)20)23(19(25)18(16)24)10-5-9-22-11-8-21-12-22/h3-4,6-8,11-13,24-25H,5,9-10H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol?
5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol has a molecular weight of 343.40 g/mol, XLogP of 4.12, 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-propan-2-ylpyrrole-2,3-diol is sourced from PubChem (CID 90836546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).