1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide

C21H22FN3O3 — CID 22055006

IUPAC1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCOc2cccc(-c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C21H22FN3O3/c22-17-8-6-15(7-9-17)16-3-1-5-19(11-16)28-10-2-4-18(26)12-25-13-20(21(23)27)24-14-25/h1,3,5-9,11,13-14,18,26H,2,4,10,12H2,(H2,23,27)
InChIKeyOSUTZCVOGUUISU-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.01
Rot. Bonds9

About 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide

1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide (PubChem CID 22055006) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
PubChem CID22055006
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCOc2cccc(-c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C21H22FN3O3/c22-17-8-6-15(7-9-17)16-3-1-5-19(11-16)28-10-2-4-18(26)12-25-13-20(21(23)27)24-14-25/h1,3,5-9,11,13-14,18,26H,2,4,10,12H2,(H2,23,27)
InChIKeyOSUTZCVOGUUISU-UHFFFAOYSA-N
XLogP3.01
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide (CID 22055006) is 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCOc2cccc(-c3ccc(F)cc3)c2)cn1.
What is the InChIKey of 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
The InChIKey is OSUTZCVOGUUISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-17-8-6-15(7-9-17)16-3-1-5-19(11-16)28-10-2-4-18(26)12-25-13-20(21(23)27)24-14-25/h1,3,5-9,11,13-14,18,26H,2,4,10,12H2,(H2,23,27).
What are the key properties of 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide?
1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-fluorophenyl)phenoxy]-2-hydroxypentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22055006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).