1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine

C15H16F3N3 — CID 119126089

IUPAC1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
SMILESFC(F)(F)c1cccc(C2(CNCc3ncc[nH]3)CC2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14(4-5-14)10-19-9-13-20-6-7-21-13/h1-3,6-8,19H,4-5,9-10H2,(H,20,21)
InChIKeyJTUMCNBLVGQJTF-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.25
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine

1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine (PubChem CID 119126089) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
PubChem CID119126089
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
SMILESFC(F)(F)c1cccc(C2(CNCc3ncc[nH]3)CC2)c1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14(4-5-14)10-19-9-13-20-6-7-21-13/h1-3,6-8,19H,4-5,9-10H2,(H,20,21)
InChIKeyJTUMCNBLVGQJTF-UHFFFAOYSA-N
XLogP3.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine (CID 119126089) is 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine is FC(F)(F)c1cccc(C2(CNCc3ncc[nH]3)CC2)c1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
The InChIKey is JTUMCNBLVGQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)12-3-1-2-11(8-12)14(4-5-14)10-19-9-13-20-6-7-21-13/h1-3,6-8,19H,4-5,9-10H2,(H,20,21).
What are the key properties of 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine has a molecular weight of 295.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine is sourced from PubChem (CID 119126089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).