2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine

C12H12F3N3 — CID 114705714

IUPAC2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H12F3N3/c1-12(2,16)10-5-17-6-18(10)7-3-8(13)11(15)9(14)4-7/h3-6H,16H2,1-2H3
InChIKeyYLVKTWHADKMHPN-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.48
Rot. Bonds2

About 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine

2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine (PubChem CID 114705714) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
PubChem CID114705714
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H12F3N3/c1-12(2,16)10-5-17-6-18(10)7-3-8(13)11(15)9(14)4-7/h3-6H,16H2,1-2H3
InChIKeyYLVKTWHADKMHPN-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
CID 114707634
2-(3-pyridin-4-ylimidazol-4-yl)propan-2-amine
CID 114703697
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
CID 104942944
2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114706711
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine
CID 114704943
N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974
2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
CID 114705574
4-[1-amino-1-[3-(4-fluorophenyl)imidazol-4-yl]ethyl]-2-fluorobenzonitrile;dihydrochloride
CID 18629453
2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708321
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
CID 106291716

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine (CID 114705714) is 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
The InChIKey is YLVKTWHADKMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-12(2,16)10-5-17-6-18(10)7-3-8(13)11(15)9(14)4-7/h3-6H,16H2,1-2H3.
What are the key properties of 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine has a molecular weight of 255.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114705714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).