[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride

C5H8Cl2F3N3 — CID 119030846

IUPAC[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H6F3N3.2ClH/c6-5(7,8)3-2-10-4(1-9)11-3;;/h2H,1,9H2,(H,10,11);2*1H
InChIKeyJTHBZTFCVVHWOW-UHFFFAOYSA-N
MW238.04 g/mol
LogP1.73
Rot. Bonds1

About [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride

[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride (PubChem CID 119030846) has the molecular formula C5H8Cl2F3N3 and a molecular weight of 238.04 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride
PubChem CID119030846
Molecular FormulaC5H8Cl2F3N3
Molecular Weight238.04 g/mol
Exact Mass237.00
IUPAC Name[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H6F3N3.2ClH/c6-5(7,8)3-2-10-4(1-9)11-3;;/h2H,1,9H2,(H,10,11);2*1H
InChIKeyJTHBZTFCVVHWOW-UHFFFAOYSA-N
XLogP1.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
2-Methylhistamine
CID 91613
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
2-Iodo-4-methyl-1H-imidazole
CID 322560
4-Methyl-2-propyl-1H-imidazole
CID 12199456

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride?
The IUPAC name of [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride (CID 119030846) is [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride is Cl.Cl.NCc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride?
The InChIKey is JTHBZTFCVVHWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.2ClH/c6-5(7,8)3-2-10-4(1-9)11-3;;/h2H,1,9H2,(H,10,11);2*1H.
What are the key properties of [5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride?
[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine;dihydrochloride has a molecular weight of 238.04 g/mol, XLogP of 1.73, 1 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-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119030846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).