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

C16H14F3N3S — CID 11739220

IUPACN-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)22-15-20-9-10-21-15/h1-8H,9-10H2,(H2,20,21,22)
InChIKeyFTNQLOBIHBFXGY-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.23
Rot. Bonds3

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

N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11739220) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11739220
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC NameN-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)22-15-20-9-10-21-15/h1-8H,9-10H2,(H2,20,21,22)
InChIKeyFTNQLOBIHBFXGY-UHFFFAOYSA-N
XLogP4.23
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11186023
1H-Imidazol-2-amine, 4,5-dihydro-N-[4-(phenylthio)phenyl]-
CID 11391560
1H-Imidazol-2-amine, 4,5-dihydro-N-[4-[(4-methylphenyl)thio]phenyl]-
CID 11414893
N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11461526
1-Benzyl-3-{4-[(trifluoromethyl)sulfanyl]phenyl}thiourea
CID 1231901
1-[4-(Difluoromethylthio)phenyl]-3-(phenylmethyl)thiourea
CID 2332818
4,4''''-Di(2-Imidazolidinylimino)Diphenyl Sulfide
CID 17755548
N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 11254374
2-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]guanidine;dihydrochloride
CID 44549119
N-[4-(4-aminophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride
CID 44549238
N-[4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 118721295
1-[4-(Difluoromethylsulfanyl)phenyl]-3-(3-phenylpropyl)thiourea
CID 2443283

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11739220) is N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FTNQLOBIHBFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3S/c17-16(18,19)11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)22-15-20-9-10-21-15/h1-8H,9-10H2,(H2,20,21,22).
What are the key properties of N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 337.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11739220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).