1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride

C11H12ClFN4 — CID 57395354

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride
SMILESCl.Fc1cccc2cnn(CC3=NCCN3)c12
InChIInChI=1S/C11H11FN4.ClH/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H,13,14);1H
InChIKeyFFPUJQZXOIQVNA-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.60
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride (PubChem CID 57395354) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride
PubChem CID57395354
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride
SMILESCl.Fc1cccc2cnn(CC3=NCCN3)c12
InChIInChI=1S/C11H11FN4.ClH/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H,13,14);1H
InChIKeyFFPUJQZXOIQVNA-UHFFFAOYSA-N
XLogP1.60
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride (CID 57395354) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride is Cl.Fc1cccc2cnn(CC3=NCCN3)c12.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride?
The InChIKey is FFPUJQZXOIQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4.ClH/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10;/h1-3,6H,4-5,7H2,(H,13,14);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride has a molecular weight of 254.70 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-7-fluoroindazole;hydrochloride is sourced from PubChem (CID 57395354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).