5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride

C10H10ClFN2 — CID 122163567

IUPAC5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
SMILESCl.Fc1cccc(Cc2cnc[nH]2)c1
InChIInChI=1S/C10H9FN2.ClH/c11-9-3-1-2-8(4-9)5-10-6-12-7-13-10;/h1-4,6-7H,5H2,(H,12,13);1H
InChIKeySYPSLRNPHOBSFR-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.56
Rot. Bonds2

About 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride

5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride (PubChem CID 122163567) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
PubChem CID122163567
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
SMILESCl.Fc1cccc(Cc2cnc[nH]2)c1
InChIInChI=1S/C10H9FN2.ClH/c11-9-3-1-2-8(4-9)5-10-6-12-7-13-10;/h1-4,6-7H,5H2,(H,12,13);1H
InChIKeySYPSLRNPHOBSFR-UHFFFAOYSA-N
XLogP2.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
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3-[2-(3-fluorophenyl)ethyl]-1-(1H-imidazol-5-ylmethyl)piperidine
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5-(9H-fluoren-2-ylmethyl)-1H-imidazole
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3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
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5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole
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5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
CID 63108845
[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
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5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
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CID 131237486
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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride (CID 122163567) is 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride is Cl.Fc1cccc(Cc2cnc[nH]2)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride?
The InChIKey is SYPSLRNPHOBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2.ClH/c11-9-3-1-2-8(4-9)5-10-6-12-7-13-10;/h1-4,6-7H,5H2,(H,12,13);1H.
What are the key properties of 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride?
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride has a molecular weight of 212.66 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 122163567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).