2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

C12H12ClF3N2 — CID 170150863

IUPAC2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)Cc1cc(Cl)ccc1CC1=NCCN1
InChIInChI=1S/C12H12ClF3N2/c13-10-2-1-8(6-11-17-3-4-18-11)9(5-10)7-12(14,15)16/h1-2,5H,3-4,6-7H2,(H,17,18)
InChIKeyOECUWUCIWUJZSP-UHFFFAOYSA-N
MW276.69 g/mol
LogP2.99
Rot. Bonds3

About 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 170150863) has the molecular formula C12H12ClF3N2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID170150863
Molecular FormulaC12H12ClF3N2
Molecular Weight276.69 g/mol
Exact Mass276.06
IUPAC Name2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)Cc1cc(Cl)ccc1CC1=NCCN1
InChIInChI=1S/C12H12ClF3N2/c13-10-2-1-8(6-11-17-3-4-18-11)9(5-10)7-12(14,15)16/h1-2,5H,3-4,6-7H2,(H,17,18)
InChIKeyOECUWUCIWUJZSP-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole (CID 170150863) is 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is FC(F)(F)Cc1cc(Cl)ccc1CC1=NCCN1.
What is the InChIKey of 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OECUWUCIWUJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2/c13-10-2-1-8(6-11-17-3-4-18-11)9(5-10)7-12(14,15)16/h1-2,5H,3-4,6-7H2,(H,17,18).
What are the key properties of 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 276.69 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(2,2,2-trifluoroethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 170150863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).