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

C4H4F3N3 — CID 82373937

IUPAC2-(trifluoromethyl)-1H-imidazol-5-amine
SMILESNc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)3-9-1-2(8)10-3/h1H,8H2,(H,9,10)
InChIKeyXNHNGYRHGMXUMT-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.01
Rot. Bonds

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

2-(trifluoromethyl)-1H-imidazol-5-amine (PubChem CID 82373937) has the molecular formula C4H4F3N3 and a molecular weight of 151.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-imidazol-5-amine
PubChem CID82373937
Molecular FormulaC4H4F3N3
Molecular Weight151.09 g/mol
Exact Mass151.04
IUPAC Name2-(trifluoromethyl)-1H-imidazol-5-amine
SMILESNc1cnc(C(F)(F)F)[nH]1
InChIInChI=1S/C4H4F3N3/c5-4(6,7)3-9-1-2(8)10-3/h1H,8H2,(H,9,10)
InChIKeyXNHNGYRHGMXUMT-UHFFFAOYSA-N
XLogP1.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(trifluoromethyl)-1H-imidazol-5-yl]propanal
CID 135397293
5-cyclobutyl-2-(trifluoromethyl)-1H-imidazole
CID 116883636
2-tert-butyl-5-(trifluoromethyl)-1H-imidazole
CID 90337864
4-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzene-1,2-diol
CID 115045191
4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine
CID 105492302
8-(trifluoromethyl)-7H-purin-6-amine
CID 3635406
6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137286712
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
2-pyrrol-1-yl-1H-imidazol-5-amine
CID 70533309
2-methylsulfonyl-1H-imidazol-5-amine
CID 117189336
2-phenyl-1H-imidazol-5-amine
CID 14960439
1H-imidazole-2,5-diamine;triazine
CID 174499636

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-imidazol-5-amine?
The IUPAC name of 2-(trifluoromethyl)-1H-imidazol-5-amine (CID 82373937) is 2-(trifluoromethyl)-1H-imidazol-5-amine.
What is the SMILES notation for 2-(trifluoromethyl)-1H-imidazol-5-amine?
The canonical SMILES for 2-(trifluoromethyl)-1H-imidazol-5-amine is Nc1cnc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-1H-imidazol-5-amine?
The InChIKey is XNHNGYRHGMXUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3/c5-4(6,7)3-9-1-2(8)10-3/h1H,8H2,(H,9,10).
What are the key properties of 2-(trifluoromethyl)-1H-imidazol-5-amine?
2-(trifluoromethyl)-1H-imidazol-5-amine has a molecular weight of 151.09 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-imidazol-5-amine is sourced from PubChem (CID 82373937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).