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

C18H18F3N3 — CID 25032421

IUPACN-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cccc(C(Cc2ccccc2)NC2=NCCN2)c1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)15-8-4-7-14(12-15)16(24-17-22-9-10-23-17)11-13-5-2-1-3-6-13/h1-8,12,16H,9-11H2,(H2,22,23,24)
InChIKeyRLSDDQAOKZCOHL-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.54
Rot. Bonds4

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

N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 25032421) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID25032421
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cccc(C(Cc2ccccc2)NC2=NCCN2)c1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)15-8-4-7-14(12-15)16(24-17-22-9-10-23-17)11-13-5-2-1-3-6-13/h1-8,12,16H,9-11H2,(H2,22,23,24)
InChIKeyRLSDDQAOKZCOHL-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 25032421) is N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)c1cccc(C(Cc2ccccc2)NC2=NCCN2)c1.
What is the InChIKey of N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is RLSDDQAOKZCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c19-18(20,21)15-8-4-7-14(12-15)16(24-17-22-9-10-23-17)11-13-5-2-1-3-6-13/h1-8,12,16H,9-11H2,(H2,22,23,24).
What are the key properties of N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 333.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 25032421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).