N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C10H11ClF3N3 — CID 117069141

IUPACN-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(NC2=NCCN2)c1
InChIInChI=1S/C10H10F3N3.ClH/c11-10(12,13)7-2-1-3-8(6-7)16-9-14-4-5-15-9;/h1-3,6H,4-5H2,(H2,14,15,16);1H
InChIKeyBPOGOBDLPLZBQM-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.50
Rot. Bonds1

About N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 117069141) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID117069141
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(NC2=NCCN2)c1
InChIInChI=1S/C10H10F3N3.ClH/c11-10(12,13)7-2-1-3-8(6-7)16-9-14-4-5-15-9;/h1-3,6H,4-5H2,(H2,14,15,16);1H
InChIKeyBPOGOBDLPLZBQM-UHFFFAOYSA-N
XLogP2.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinazolin-2-amine
CID 11854801
2-amino-2-phenyl-2-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-5-(trifluoromethyl)phenyl]acetaldehyde
CID 173309221
N-[[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)phenyl]phenyl]methyl]formamide
CID 173309237
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
CID 126697090
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110935350
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400222
N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine
CID 13189706
(3S)-3-[[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetyl]amino]-3-[3-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenyl]propanoic acid
CID 72948604

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 117069141) is N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.FC(F)(F)c1cccc(NC2=NCCN2)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is BPOGOBDLPLZBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3.ClH/c11-10(12,13)7-2-1-3-8(6-7)16-9-14-4-5-15-9;/h1-3,6H,4-5H2,(H2,14,15,16);1H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 265.67 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 117069141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).