(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol

C12H20FN3O — CID 131943293

IUPAC(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol
SMILESCCCCc1ncc(CN2C[C@@H](O)[C@H](F)C2)[nH]1
InChIInChI=1S/C12H20FN3O/c1-2-3-4-12-14-5-9(15-12)6-16-7-10(13)11(17)8-16/h5,10-11,17H,2-4,6-8H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyOHDVDZBGMIZHIU-GHMZBOCLSA-N
MW241.31 g/mol
LogP1.27
Rot. Bonds5

About (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol

(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol (PubChem CID 131943293) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol
PubChem CID131943293
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol
SMILESCCCCc1ncc(CN2C[C@@H](O)[C@H](F)C2)[nH]1
InChIInChI=1S/C12H20FN3O/c1-2-3-4-12-14-5-9(15-12)6-16-7-10(13)11(17)8-16/h5,10-11,17H,2-4,6-8H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyOHDVDZBGMIZHIU-GHMZBOCLSA-N
XLogP1.27
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-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

Related Compounds

2-Butyl-5-hydroxymethylimidazole
CID 2735673
1-[3-(1H,1'H-2,4'-biimidazol-1-yl)propyl]piperidin-4-ol
CID 56869519
(3R,4R)-4-(hydroxymethyl)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-ol
CID 162652841
N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride
CID 21144688
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol
CID 119041987
(1-{[[(2-butyl-1H-imidazol-4-yl)methyl](methyl)amino]methyl}cyclobutyl)methanol
CID 129617737
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol
CID 178139651

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol (CID 131943293) is (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol is CCCCc1ncc(CN2C[C@@H](O)[C@H](F)C2)[nH]1.
What is the InChIKey of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol?
The InChIKey is OHDVDZBGMIZHIU-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-2-3-4-12-14-5-9(15-12)6-16-7-10(13)11(17)8-16/h5,10-11,17H,2-4,6-8H2,1H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol has a molecular weight of 241.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 131943293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).