N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride

C11H13ClF3N3 — CID 20529048

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride
SMILESCl.FC(F)(F)c1cccc(NCC2=NCCN2)c1
InChIInChI=1S/C11H12F3N3.ClH/c12-11(13,14)8-2-1-3-9(6-8)17-7-10-15-4-5-16-10;/h1-3,6,17H,4-5,7H2,(H,15,16);1H
InChIKeyNNFVVWGXKLEUTC-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.54
Rot. Bonds3

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride (PubChem CID 20529048) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride
PubChem CID20529048
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride
SMILESCl.FC(F)(F)c1cccc(NCC2=NCCN2)c1
InChIInChI=1S/C11H12F3N3.ClH/c12-11(13,14)8-2-1-3-9(6-8)17-7-10-15-4-5-16-10;/h1-3,6,17H,4-5,7H2,(H,15,16);1H
InChIKeyNNFVVWGXKLEUTC-UHFFFAOYSA-N
XLogP2.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride (CID 20529048) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride is Cl.FC(F)(F)c1cccc(NCC2=NCCN2)c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is NNFVVWGXKLEUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3.ClH/c12-11(13,14)8-2-1-3-9(6-8)17-7-10-15-4-5-16-10;/h1-3,6,17H,4-5,7H2,(H,15,16);1H.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 279.69 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 20529048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).