7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride

C8H9ClFN3 — CID 18785143

IUPAC7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride
SMILESCc1c(N)cc(F)c2nc[nH]c12.Cl
InChIInChI=1S/C8H8FN3.ClH/c1-4-6(10)2-5(9)8-7(4)11-3-12-8;/h2-3H,10H2,1H3,(H,11,12);1H
InChIKeyVTEQXXYIUHMGKK-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.01
Rot. Bonds

About 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride

7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride (PubChem CID 18785143) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride.

Molecular Properties

Compound Name7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride
PubChem CID18785143
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC Name7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride
SMILESCc1c(N)cc(F)c2nc[nH]c12.Cl
InChIInChI=1S/C8H8FN3.ClH/c1-4-6(10)2-5(9)8-7(4)11-3-12-8;/h2-3H,10H2,1H3,(H,11,12);1H
InChIKeyVTEQXXYIUHMGKK-UHFFFAOYSA-N
XLogP2.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride?
The IUPAC name of 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride (CID 18785143) is 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride.
What is the SMILES notation for 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride?
The canonical SMILES for 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride is Cc1c(N)cc(F)c2nc[nH]c12.Cl.
What is the InChIKey of 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride?
The InChIKey is VTEQXXYIUHMGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3.ClH/c1-4-6(10)2-5(9)8-7(4)11-3-12-8;/h2-3H,10H2,1H3,(H,11,12);1H.
What are the key properties of 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride?
7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride has a molecular weight of 201.63 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride is sourced from PubChem (CID 18785143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).