5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole

C13H14ClN3 — CID 93255754

IUPAC5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
SMILESClc1ccccc1-c1cnc([C@H]2CCCN2)[nH]1
InChIInChI=1S/C13H14ClN3/c14-10-5-2-1-4-9(10)12-8-16-13(17-12)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2,(H,16,17)/t11-/m1/s1
InChIKeyQSGXOZUQLZOLGF-LLVKDONJSA-N
MW247.73 g/mol
LogP3.15
Rot. Bonds2

About 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole

5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole (PubChem CID 93255754) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
PubChem CID93255754
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
SMILESClc1ccccc1-c1cnc([C@H]2CCCN2)[nH]1
InChIInChI=1S/C13H14ClN3/c14-10-5-2-1-4-9(10)12-8-16-13(17-12)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2,(H,16,17)/t11-/m1/s1
InChIKeyQSGXOZUQLZOLGF-LLVKDONJSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 138691138
5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 43650697
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
4-(2-chlorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 115046230
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[5-(2,4-dichloro-5-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64571206
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 116877522
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64570578
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole (CID 93255754) is 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole is Clc1ccccc1-c1cnc([C@H]2CCCN2)[nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is QSGXOZUQLZOLGF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-10-5-2-1-4-9(10)12-8-16-13(17-12)11-6-3-7-15-11/h1-2,4-5,8,11,15H,3,6-7H2,(H,16,17)/t11-/m1/s1.
What are the key properties of 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole?
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 247.73 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 93255754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).