(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole

C12H13F3N2 — CID 10728850

IUPAC(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCC1=NC[C@H](C(F)(F)F)N1Cc1ccccc1
InChIInChI=1S/C12H13F3N2/c1-9-16-7-11(12(13,14)15)17(9)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKeyFPLMKQBCNBMJPR-LLVKDONJSA-N
MW242.24 g/mol
LogP2.85
Rot. Bonds2

About (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole

(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 10728850) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID10728850
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCC1=NC[C@H](C(F)(F)F)N1Cc1ccccc1
InChIInChI=1S/C12H13F3N2/c1-9-16-7-11(12(13,14)15)17(9)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChIKeyFPLMKQBCNBMJPR-LLVKDONJSA-N
XLogP2.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole (CID 10728850) is (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole is CC1=NC[C@H](C(F)(F)F)N1Cc1ccccc1.
What is the InChIKey of (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is FPLMKQBCNBMJPR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-9-16-7-11(12(13,14)15)17(9)8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
(5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 242.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-2-methyl-5-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 10728850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).