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

C17H18FN3O2 — CID 90774375

IUPAC5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol
SMILESCc1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1F
InChIInChI=1S/C17H18FN3O2/c1-12-15(13-5-2-3-6-14(13)18)21(17(23)16(12)22)9-4-8-20-10-7-19-11-20/h2-3,5-7,10-11,22-23H,4,8-9H2,1H3
InChIKeyXFQIGPJJCMUFGS-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.30
Rot. Bonds5

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

5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol (PubChem CID 90774375) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol
PubChem CID90774375
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol
SMILESCc1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1F
InChIInChI=1S/C17H18FN3O2/c1-12-15(13-5-2-3-6-14(13)18)21(17(23)16(12)22)9-4-8-20-10-7-19-11-20/h2-3,5-7,10-11,22-23H,4,8-9H2,1H3
InChIKeyXFQIGPJJCMUFGS-UHFFFAOYSA-N
XLogP3.30
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.30
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
1-(4-Fluorophenyl)-5-(2-hydroxyphenyl)imidazole
CID 129825126
1-(3H-benzimidazol-5-yl)-4-ethyl-5-(2,3,5-trifluorophenyl)pyrrole-2,3-diol
CID 90705908
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
1-(3H-benzimidazol-5-yl)-5-(2,6-difluorophenyl)-4-methylpyrrole-2,3-diol
CID 90720937
4-[4-[2-(4-Fluorophenyl)ethyl]-2-pyridinyl]-1-methylpyrrole-2,3-diol
CID 90726119
5-(2-Fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrole-2,3-diol
CID 90836546
1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol
CID 90851702
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-(2,3-difluorophenyl)-4-methylpyrrole-2,3-diol
CID 90985124

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol?
The IUPAC name of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol (CID 90774375) is 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol?
The canonical SMILES for 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol is Cc1c(O)c(O)n(CCCn2ccnc2)c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol?
The InChIKey is XFQIGPJJCMUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12-15(13-5-2-3-6-14(13)18)21(17(23)16(12)22)9-4-8-20-10-7-19-11-20/h2-3,5-7,10-11,22-23H,4,8-9H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol?
5-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-methylpyrrole-2,3-diol has a molecular weight of 315.35 g/mol, XLogP of 3.30, 5 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-methylpyrrole-2,3-diol is sourced from PubChem (CID 90774375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).