5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole

C16H20FN3O2 — CID 129096376

IUPAC5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCCO[C@H]1CN[C@H](c2ncc(-c3ccc(F)cc3)[nH]2)C1
InChIInChI=1S/C16H20FN3O2/c1-21-6-7-22-13-8-14(18-9-13)16-19-10-15(20-16)11-2-4-12(17)5-3-11/h2-5,10,13-14,18H,6-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeySDEOBYDUXHWWHX-KGLIPLIRSA-N
MW305.35 g/mol
LogP2.28
Rot. Bonds6

About 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole

5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole (PubChem CID 129096376) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
PubChem CID129096376
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCCO[C@H]1CN[C@H](c2ncc(-c3ccc(F)cc3)[nH]2)C1
InChIInChI=1S/C16H20FN3O2/c1-21-6-7-22-13-8-14(18-9-13)16-19-10-15(20-16)11-2-4-12(17)5-3-11/h2-5,10,13-14,18H,6-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeySDEOBYDUXHWWHX-KGLIPLIRSA-N
XLogP2.28
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

(1s)-1,5-Anhydro-1-(5-Phenyl-1h-Imidazol-2-Yl)-D-Glucitol
CID 71522432
5-(4-fluorophenyl)-2-undecan-6-yl-1H-imidazole
CID 9836594
5-(4-fluorophenyl)-2-heptan-4-yl-1H-imidazole
CID 9899906
4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)benzyl)morpholine
CID 22969459
butyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 44439662
4-phenyl-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CID 50988275
(2~{r},3~{s},4~{r},5~{r},6~{r})-5-Azanyl-2-(Hydroxymethyl)-6-(4-Phenyl-1~{h}-Imidazol-2-Yl)oxane-3,4-Diol
CID 131633001
(5-(4-Fluorophenyl)-1H-imidazol-2-YL)methanamine
CID 43649246
2-methyl-4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)benzyl)morpholine
CID 46856243
2-methyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)benzyl)morpholine
CID 53322600
(S)-3-methyl-4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)benzyl)morpholine
CID 53322647
(3R)-4-(2,2-dimethylpropyl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]morpholine
CID 56775888

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole (CID 129096376) is 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole is COCCO[C@H]1CN[C@H](c2ncc(-c3ccc(F)cc3)[nH]2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is SDEOBYDUXHWWHX-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-21-6-7-22-13-8-14(18-9-13)16-19-10-15(20-16)11-2-4-12(17)5-3-11/h2-5,10,13-14,18H,6-9H2,1H3,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 305.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 129096376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).