N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine

C13H14F3N3 — CID 106556165

IUPACN-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCC(C)Nc1nccn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3/c1-9(2)18-12-17-7-8-19(12)11-6-4-3-5-10(11)13(14,15)16/h3-9H,1-2H3,(H,17,18)
InChIKeyIKBXPYKGULTWOV-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.71
Rot. Bonds3

About N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine

N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 106556165) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID106556165
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCC(C)Nc1nccn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3/c1-9(2)18-12-17-7-8-19(12)11-6-4-3-5-10(11)13(14,15)16/h3-9H,1-2H3,(H,17,18)
InChIKeyIKBXPYKGULTWOV-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556180
1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
CID 106566372
1-(1,3-dimethylpyrazol-4-yl)-N-propan-2-ylimidazol-2-amine
CID 106583195
1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106564573
1-(2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106560588
N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine
CID 106580867
N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571578
1-(2-ethylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106559461
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572
1-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 140643375
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1-[2-(trifluoromethyl)phenyl]imidazole-2-carboxamide
CID 122514217
N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 104828787

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine (CID 106556165) is N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine is CC(C)Nc1nccn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is IKBXPYKGULTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9(2)18-12-17-7-8-19(12)11-6-4-3-5-10(11)13(14,15)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine?
N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 269.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 106556165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).