N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine

C11H11F3N4 — CID 114204439

IUPACN-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine
SMILESCNCc1cn(-c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C11H11F3N4/c1-15-4-8-6-18(7-17-8)9-2-3-10(16-5-9)11(12,13)14/h2-3,5-7,15H,4H2,1H3
InChIKeyIXYZOAPKWDCPOL-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine

N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine (PubChem CID 114204439) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine
PubChem CID114204439
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine
SMILESCNCc1cn(-c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C11H11F3N4/c1-15-4-8-6-18(7-17-8)9-2-3-10(16-5-9)11(12,13)14/h2-3,5-7,15H,4H2,1H3
InChIKeyIXYZOAPKWDCPOL-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine (CID 114204439) is N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine is CNCc1cn(-c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine?
The InChIKey is IXYZOAPKWDCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-15-4-8-6-18(7-17-8)9-2-3-10(16-5-9)11(12,13)14/h2-3,5-7,15H,4H2,1H3.
What are the key properties of N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine?
N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 114204439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).