1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine

C9H18FN3 — CID 126487885

IUPAC1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)N1CCN=C1NCCF
InChIInChI=1S/C9H18FN3/c1-9(2,3)13-7-6-12-8(13)11-5-4-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyXLYJJAILODRVPU-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.02
Rot. Bonds2

About 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine

1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 126487885) has the molecular formula C9H18FN3 and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
PubChem CID126487885
Molecular FormulaC9H18FN3
Molecular Weight187.26 g/mol
Exact Mass187.15
IUPAC Name1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)(C)N1CCN=C1NCCF
InChIInChI=1S/C9H18FN3/c1-9(2,3)13-7-6-12-8(13)11-5-4-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyXLYJJAILODRVPU-UHFFFAOYSA-N
XLogP1.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine (CID 126487885) is 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine is CC(C)(C)N1CCN=C1NCCF.
What is the InChIKey of 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XLYJJAILODRVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3/c1-9(2,3)13-7-6-12-8(13)11-5-4-10/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine?
1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 187.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-fluoroethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 126487885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).