[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine

C11H15F3N4 — CID 172584569

IUPAC[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCn1cc(C(F)(F)F)nc1N1CC=C(CN)CC1
InChIInChI=1S/C11H15F3N4/c1-17-7-9(11(12,13)14)16-10(17)18-4-2-8(6-15)3-5-18/h2,7H,3-6,15H2,1H3
InChIKeyQACUDRWNJQGUCW-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.53
Rot. Bonds2

About [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine

[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine (PubChem CID 172584569) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine
PubChem CID172584569
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine
SMILESCn1cc(C(F)(F)F)nc1N1CC=C(CN)CC1
InChIInChI=1S/C11H15F3N4/c1-17-7-9(11(12,13)14)16-10(17)18-4-2-8(6-15)3-5-18/h2,7H,3-6,15H2,1H3
InChIKeyQACUDRWNJQGUCW-UHFFFAOYSA-N
XLogP1.53
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The IUPAC name of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine (CID 172584569) is [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine.
What is the SMILES notation for [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The canonical SMILES for [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine is Cn1cc(C(F)(F)F)nc1N1CC=C(CN)CC1.
What is the InChIKey of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine?
The InChIKey is QACUDRWNJQGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-17-7-9(11(12,13)14)16-10(17)18-4-2-8(6-15)3-5-18/h2,7H,3-6,15H2,1H3.
What are the key properties of [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine?
[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine has a molecular weight of 260.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,6-dihydro-2H-pyridin-4-yl]methanamine is sourced from PubChem (CID 172584569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).