4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

C7H11F3N4 — CID 114996061

IUPAC4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(C)CC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C7H11F3N4/c1-4-12-5(11)6(13-4)14(2)3-7(8,9)10/h3,11H2,1-2H3,(H,12,13)
InChIKeyZPKMCYUBDGFFGF-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.30
Rot. Bonds2

About 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (PubChem CID 114996061) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
PubChem CID114996061
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(C)CC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C7H11F3N4/c1-4-12-5(11)6(13-4)14(2)3-7(8,9)10/h3,11H2,1-2H3,(H,12,13)
InChIKeyZPKMCYUBDGFFGF-UHFFFAOYSA-N
XLogP1.30
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (CID 114996061) is 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is Cc1nc(N(C)CC(F)(F)F)c(N)[nH]1.
What is the InChIKey of 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The InChIKey is ZPKMCYUBDGFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-4-12-5(11)6(13-4)14(2)3-7(8,9)10/h3,11H2,1-2H3,(H,12,13).
What are the key properties of 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine has a molecular weight of 208.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114996061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).