4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline

C16H13ClF3N3 — CID 143901966

IUPAC4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2cccc(C3=NCCN3)c2)ccc1Cl
InChIInChI=1S/C16H13ClF3N3/c17-14-5-4-12(9-13(14)16(18,19)20)23-11-3-1-2-10(8-11)15-21-6-7-22-15/h1-5,8-9,23H,6-7H2,(H,21,22)
InChIKeyPPXINDLUGRLPTP-UHFFFAOYSA-N
MW339.75 g/mol
LogP4.45
Rot. Bonds3

About 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline

4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline (PubChem CID 143901966) has the molecular formula C16H13ClF3N3 and a molecular weight of 339.75 g/mol. Its IUPAC name is 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline
PubChem CID143901966
Molecular FormulaC16H13ClF3N3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC Name4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2cccc(C3=NCCN3)c2)ccc1Cl
InChIInChI=1S/C16H13ClF3N3/c17-14-5-4-12(9-13(14)16(18,19)20)23-11-3-1-2-10(8-11)15-21-6-7-22-15/h1-5,8-9,23H,6-7H2,(H,21,22)
InChIKeyPPXINDLUGRLPTP-UHFFFAOYSA-N
XLogP4.45
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline
CID 175534747
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine;hydroiodide
CID 141150787
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 82252428
3-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
CID 45120784
CID 89119273
CID 89119273
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904656
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
CID 82252406
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 162178872
N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 117069141
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline (CID 143901966) is 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(Nc2cccc(C3=NCCN3)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline?
The InChIKey is PPXINDLUGRLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3/c17-14-5-4-12(9-13(14)16(18,19)20)23-11-3-1-2-10(8-11)15-21-6-7-22-15/h1-5,8-9,23H,6-7H2,(H,21,22).
What are the key properties of 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline?
4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline has a molecular weight of 339.75 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 143901966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).