5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride

C4H6ClF2N3 — CID 154578327

IUPAC5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(C(F)F)[nH]1
InChIInChI=1S/C4H5F2N3.ClH/c5-3(6)2-1-8-4(7)9-2;/h1,3H,(H3,7,8,9);1H
InChIKeyUWKFIQWAPIBDJE-UHFFFAOYSA-N
MW169.56 g/mol
LogP1.35
Rot. Bonds1

About 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride

5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride (PubChem CID 154578327) has the molecular formula C4H6ClF2N3 and a molecular weight of 169.56 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride
PubChem CID154578327
Molecular FormulaC4H6ClF2N3
Molecular Weight169.56 g/mol
Exact Mass169.02
IUPAC Name5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(C(F)F)[nH]1
InChIInChI=1S/C4H5F2N3.ClH/c5-3(6)2-1-8-4(7)9-2;/h1,3H,(H3,7,8,9);1H
InChIKeyUWKFIQWAPIBDJE-UHFFFAOYSA-N
XLogP1.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.56
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride (CID 154578327) is 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(C(F)F)[nH]1.
What is the InChIKey of 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The InChIKey is UWKFIQWAPIBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3.ClH/c5-3(6)2-1-8-4(7)9-2;/h1,3H,(H3,7,8,9);1H.
What are the key properties of 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride?
5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride has a molecular weight of 169.56 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 154578327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).