5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole

C13H13ClFN3 — CID 118324161

IUPAC5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole
SMILESF[C@H]1CN[C@H](c2ncc(-c3cccc(Cl)c3)[nH]2)C1
InChIInChI=1S/C13H13ClFN3/c14-9-3-1-2-8(4-9)12-7-17-13(18-12)11-5-10(15)6-16-11/h1-4,7,10-11,16H,5-6H2,(H,17,18)/t10-,11+/m1/s1
InChIKeySJGPPHSUQZLUDN-MNOVXSKESA-N
MW265.72 g/mol
LogP3.10
Rot. Bonds2

About 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole

5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole (PubChem CID 118324161) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole
PubChem CID118324161
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole
SMILESF[C@H]1CN[C@H](c2ncc(-c3cccc(Cl)c3)[nH]2)C1
InChIInChI=1S/C13H13ClFN3/c14-9-3-1-2-8(4-9)12-7-17-13(18-12)11-5-10(15)6-16-11/h1-4,7,10-11,16H,5-6H2,(H,17,18)/t10-,11+/m1/s1
InChIKeySJGPPHSUQZLUDN-MNOVXSKESA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-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

2-bromo-6-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine;hydrochloride
CID 126623215
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
CID 78151272
(2S,4S)-N-[9,9-difluoro-7-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]fluoren-2-yl]-4-fluoropyrrolidine-2-carboxamide
CID 129126055
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64570578
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
(3R,5S)-5-[5-[4-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-3-ol
CID 59669031
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
5-(1,3-benzodioxol-5-yl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
CID 61214973
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-6-[4-[2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 67106752
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole (CID 118324161) is 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole is F[C@H]1CN[C@H](c2ncc(-c3cccc(Cl)c3)[nH]2)C1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole?
The InChIKey is SJGPPHSUQZLUDN-MNOVXSKESA-N. The full InChI is InChI=1S/C13H13ClFN3/c14-9-3-1-2-8(4-9)12-7-17-13(18-12)11-5-10(15)6-16-11/h1-4,7,10-11,16H,5-6H2,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole?
5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole has a molecular weight of 265.72 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 118324161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).