(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol

C15H18FN3O2 — CID 131948750

IUPAC(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-n2ccnc2CN2C[C@@H](O)[C@H](F)C2)cc1
InChIInChI=1S/C15H18FN3O2/c1-21-12-4-2-11(3-5-12)19-7-6-17-15(19)10-18-8-13(16)14(20)9-18/h2-7,13-14,20H,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyVKOCHCSTWHUGQS-ZIAGYGMSSA-N
MW291.33 g/mol
LogP1.40
Rot. Bonds4

About (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol

(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 131948750) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
PubChem CID131948750
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-n2ccnc2CN2C[C@@H](O)[C@H](F)C2)cc1
InChIInChI=1S/C15H18FN3O2/c1-21-12-4-2-11(3-5-12)19-7-6-17-15(19)10-18-8-13(16)14(20)9-18/h2-7,13-14,20H,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyVKOCHCSTWHUGQS-ZIAGYGMSSA-N
XLogP1.40
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol 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 (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol (CID 131948750) is (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol is COc1ccc(-n2ccnc2CN2C[C@@H](O)[C@H](F)C2)cc1.
What is the InChIKey of (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is VKOCHCSTWHUGQS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-21-12-4-2-11(3-5-12)19-7-6-17-15(19)10-18-8-13(16)14(20)9-18/h2-7,13-14,20H,8-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol?
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 291.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 131948750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).