5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole

C16H20FN3O2 — CID 118630829

IUPAC5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCCO[C@H]1CN[C@H](c2ncc(-c3cccc(F)c3)[nH]2)C1
InChIInChI=1S/C16H20FN3O2/c1-21-5-6-22-13-8-14(18-9-13)16-19-10-15(20-16)11-3-2-4-12(17)7-11/h2-4,7,10,13-14,18H,5-6,8-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyNLPJOZGSDVZAKK-KGLIPLIRSA-N
MW305.35 g/mol
LogP2.28
Rot. Bonds6

About 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole

5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole (PubChem CID 118630829) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
PubChem CID118630829
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole
SMILESCOCCO[C@H]1CN[C@H](c2ncc(-c3cccc(F)c3)[nH]2)C1
InChIInChI=1S/C16H20FN3O2/c1-21-5-6-22-13-8-14(18-9-13)16-19-10-15(20-16)11-3-2-4-12(17)7-11/h2-4,7,10,13-14,18H,5-6,8-9H2,1H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyNLPJOZGSDVZAKK-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-(3-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole (CID 118630829) is 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole is COCCO[C@H]1CN[C@H](c2ncc(-c3cccc(F)c3)[nH]2)C1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is NLPJOZGSDVZAKK-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-21-5-6-22-13-8-14(18-9-13)16-19-10-15(20-16)11-3-2-4-12(17)7-11/h2-4,7,10,13-14,18H,5-6,8-9H2,1H3,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of 5-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole?
5-(3-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-(3-fluorophenyl)-2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 118630829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).