2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole

C12H12F3N3 — CID 19691993

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
SMILESFC(F)(F)c1cccc2c1CN(C1=NCCN1)C2
InChIInChI=1S/C12H12F3N3/c13-12(14,15)10-3-1-2-8-6-18(7-9(8)10)11-16-4-5-17-11/h1-3H,4-7H2,(H,16,17)
InChIKeyDPJDHZXTYKFWCR-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.98
Rot. Bonds

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole

2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole (PubChem CID 19691993) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
PubChem CID19691993
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
SMILESFC(F)(F)c1cccc2c1CN(C1=NCCN1)C2
InChIInChI=1S/C12H12F3N3/c13-12(14,15)10-3-1-2-8-6-18(7-9(8)10)11-16-4-5-17-11/h1-3H,4-7H2,(H,16,17)
InChIKeyDPJDHZXTYKFWCR-UHFFFAOYSA-N
XLogP1.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole (CID 19691993) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole is FC(F)(F)c1cccc2c1CN(C1=NCCN1)C2.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
The InChIKey is DPJDHZXTYKFWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)10-3-1-2-8-6-18(7-9(8)10)11-16-4-5-17-11/h1-3H,4-7H2,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole has a molecular weight of 255.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 19691993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).