[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride

C10H11ClFN3 — CID 157070146

IUPAC[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H10FN3.ClH/c11-8-3-1-2-7(4-8)9-6-13-10(5-12)14-9;/h1-4,6H,5,12H2,(H,13,14);1H
InChIKeyKLLQJUJGBAMQTH-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.10
Rot. Bonds2

About [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride

[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride (PubChem CID 157070146) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
PubChem CID157070146
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C10H10FN3.ClH/c11-8-3-1-2-7(4-8)9-6-13-10(5-12)14-9;/h1-4,6H,5,12H2,(H,13,14);1H
InChIKeyKLLQJUJGBAMQTH-UHFFFAOYSA-N
XLogP2.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride (CID 157070146) is [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride is Cl.NCc1ncc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride?
The InChIKey is KLLQJUJGBAMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3.ClH/c11-8-3-1-2-7(4-8)9-6-13-10(5-12)14-9;/h1-4,6H,5,12H2,(H,13,14);1H.
What are the key properties of [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride?
[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride has a molecular weight of 227.67 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 157070146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).