1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine

C14H16F3N3S — CID 79501169

IUPAC1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(SC(F)(F)F)cc2)N1CC1CC1
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)21-11-5-3-10(4-6-11)12-7-19-13(18)20(12)8-9-1-2-9/h3-6,9,12H,1-2,7-8H2,(H2,18,19)
InChIKeyJHJGVWPSUXIRFD-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.38
Rot. Bonds4

About 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine

1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (PubChem CID 79501169) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
PubChem CID79501169
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(SC(F)(F)F)cc2)N1CC1CC1
InChIInChI=1S/C14H16F3N3S/c15-14(16,17)21-11-5-3-10(4-6-11)12-7-19-13(18)20(12)8-9-1-2-9/h3-6,9,12H,1-2,7-8H2,(H2,18,19)
InChIKeyJHJGVWPSUXIRFD-UHFFFAOYSA-N
XLogP3.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine (CID 79501169) is 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(SC(F)(F)F)cc2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is JHJGVWPSUXIRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c15-14(16,17)21-11-5-3-10(4-6-11)12-7-19-13(18)20(12)8-9-1-2-9/h3-6,9,12H,1-2,7-8H2,(H2,18,19).
What are the key properties of 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine?
1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 315.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[4-(trifluoromethylsulfanyl)phenyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79501169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).