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

C4H5ClF3N3 — CID 91663038

IUPAC5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-9-3(8)10-2;/h1H,(H3,8,9,10);1H
InChIKeyDPYTTYGTEYEQIO-UHFFFAOYSA-N
MW187.55 g/mol
LogP1.43
Rot. Bonds

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

5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride (PubChem CID 91663038) has the molecular formula C4H5ClF3N3 and a molecular weight of 187.55 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride
PubChem CID91663038
Molecular FormulaC4H5ClF3N3
Molecular Weight187.55 g/mol
Exact Mass187.01
IUPAC Name5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-9-3(8)10-2;/h1H,(H3,8,9,10);1H
InChIKeyDPYTTYGTEYEQIO-UHFFFAOYSA-N
XLogP1.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.55
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
2,4-Dimethylimidazole
CID 70259
1H-imidazole-4-carbonitrile
CID 564457
4(5)-(Trifluoromethyl)imidazole
CID 585891
4-(Chloromethyl)-1H-imidazole hydrochloride
CID 217324
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
CID 576151

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride (CID 91663038) is 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride is Cl.Nc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
The InChIKey is DPYTTYGTEYEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-9-3(8)10-2;/h1H,(H3,8,9,10);1H.
What are the key properties of 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride?
5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride has a molecular weight of 187.55 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 91663038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).