1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid

C6H8F3N3O2 — CID 175971340

IUPAC1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid
SMILESNCc1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H7N3.C2HF3O2/c5-3-4-6-1-2-7-4;3-2(4,5)1(6)7/h1-2H,3,5H2,(H,6,7);(H,6,7)
InChIKeyBONJFHMEGLQMFJ-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.50
Rot. Bonds1

About 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid

1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 175971340) has the molecular formula C6H8F3N3O2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID175971340
Molecular FormulaC6H8F3N3O2
Molecular Weight211.14 g/mol
Exact Mass211.06
IUPAC Name1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid
SMILESNCc1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H7N3.C2HF3O2/c5-3-4-6-1-2-7-4;3-2(4,5)1(6)7/h1-2H,3,5H2,(H,6,7);(H,6,7)
InChIKeyBONJFHMEGLQMFJ-UHFFFAOYSA-N
XLogP0.50
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
3-(1H-imidazol-2-yl)propanoic acid;dihydrochloride
CID 70511103
2-aminoacetic acid;2-prop-2-enyl-1H-imidazole
CID 174908896
[2-(3-chloro-2-methylphenyl)-6-(1H-imidazol-2-yl)phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 174753957
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802
2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride
CID 71758072
1H-imidazol-2-ylmethyl carbamate
CID 23172617
1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
CID 54274629
4-(1H-imidazol-2-yl)-2-oxobutanoic acid
CID 82413460
2-[2-(1H-imidazol-2-yl)ethyl-methylamino]acetic acid
CID 82407276
3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
CID 130600861

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid (CID 175971340) is 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid is NCc1ncc[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is BONJFHMEGLQMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C2HF3O2/c5-3-4-6-1-2-7-4;3-2(4,5)1(6)7/h1-2H,3,5H2,(H,6,7);(H,6,7).
What are the key properties of 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid?
1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 211.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175971340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).