1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide

C22H24FN3O3 — CID 10111414

IUPAC1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCC(O)C(CCc1ccc(F)cc1OCc1ccccc1)n1cnc(C(N)=O)c1
InChIInChI=1S/C22H24FN3O3/c1-15(27)20(26-12-19(22(24)28)25-14-26)10-8-17-7-9-18(23)11-21(17)29-13-16-5-3-2-4-6-16/h2-7,9,11-12,14-15,20,27H,8,10,13H2,1H3,(H2,24,28)
InChIKeyLRDBYGXMSBAGEF-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.25
Rot. Bonds9

About 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide

1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide (PubChem CID 10111414) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
PubChem CID10111414
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCC(O)C(CCc1ccc(F)cc1OCc1ccccc1)n1cnc(C(N)=O)c1
InChIInChI=1S/C22H24FN3O3/c1-15(27)20(26-12-19(22(24)28)25-14-26)10-8-17-7-9-18(23)11-21(17)29-13-16-5-3-2-4-6-16/h2-7,9,11-12,14-15,20,27H,8,10,13H2,1H3,(H2,24,28)
InChIKeyLRDBYGXMSBAGEF-UHFFFAOYSA-N
XLogP3.25
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide (CID 10111414) is 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide is CC(O)C(CCc1ccc(F)cc1OCc1ccccc1)n1cnc(C(N)=O)c1.
What is the InChIKey of 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The InChIKey is LRDBYGXMSBAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-15(27)20(26-12-19(22(24)28)25-14-26)10-8-17-7-9-18(23)11-21(17)29-13-16-5-3-2-4-6-16/h2-7,9,11-12,14-15,20,27H,8,10,13H2,1H3,(H2,24,28).
What are the key properties of 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2-phenylmethoxyphenyl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 10111414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).