N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline

C16H15F3N4 — CID 22493287

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline
SMILESFC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H15F3N4/c17-16(18,19)12-5-3-7-22-15(12)11-4-1-2-6-13(11)23-10-14-20-8-9-21-14/h1-7,23H,8-10H2,(H,20,21)
InChIKeyUVRHJIRCYLAJKN-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.18
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline (PubChem CID 22493287) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline
PubChem CID22493287
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline
SMILESFC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H15F3N4/c17-16(18,19)12-5-3-7-22-15(12)11-4-1-2-6-13(11)23-10-14-20-8-9-21-14/h1-7,23H,8-10H2,(H,20,21)
InChIKeyUVRHJIRCYLAJKN-UHFFFAOYSA-N
XLogP3.18
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Lanicemine
CID 9794203
Midaglizole
CID 68864
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
2-Phenylpyridin-4-amine
CID 2762833
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
Amd-8664
CID 483559
4-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-2-pyridinecarbonitrile
CID 44138706
1-(Pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971723
Benzyl-pyridin-2-ylmethyl-amine
CID 795879
2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
CID 44139234
N-cyano-N'-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971030
N-cyano-N'-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971261

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline (CID 22493287) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline is FC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline?
The InChIKey is UVRHJIRCYLAJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c17-16(18,19)12-5-3-7-22-15(12)11-4-1-2-6-13(11)23-10-14-20-8-9-21-14/h1-7,23H,8-10H2,(H,20,21).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline has a molecular weight of 320.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]aniline is sourced from PubChem (CID 22493287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).