N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine

C11H18F3N3 — CID 54121121

IUPACN-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)C(NC1=NCCN1)C1CCCCC1
InChIInChI=1S/C11H18F3N3/c12-11(13,14)9(8-4-2-1-3-5-8)17-10-15-6-7-16-10/h8-9H,1-7H2,(H2,15,16,17)
InChIKeyNNTPODJVWKJCTB-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.05
Rot. Bonds2

About N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 54121121) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID54121121
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)C(NC1=NCCN1)C1CCCCC1
InChIInChI=1S/C11H18F3N3/c12-11(13,14)9(8-4-2-1-3-5-8)17-10-15-6-7-16-10/h8-9H,1-7H2,(H2,15,16,17)
InChIKeyNNTPODJVWKJCTB-UHFFFAOYSA-N
XLogP2.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 54121121) is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)C(NC1=NCCN1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is NNTPODJVWKJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c12-11(13,14)9(8-4-2-1-3-5-8)17-10-15-6-7-16-10/h8-9H,1-7H2,(H2,15,16,17).
What are the key properties of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 249.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 54121121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).