1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine

C12H15F3N2 — CID 131995664

IUPAC1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine
SMILESCc1ccc(N2CCN(C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c1-9-3-4-11(10(7-9)12(13,14)15)17-6-5-16(2)8-17/h3-4,7H,5-6,8H2,1-2H3
InChIKeyDNCGCIFRBGHIDW-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.72
Rot. Bonds1

About 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine

1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine (PubChem CID 131995664) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine.

Molecular Properties

Compound Name1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine
PubChem CID131995664
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine
SMILESCc1ccc(N2CCN(C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c1-9-3-4-11(10(7-9)12(13,14)15)17-6-5-16(2)8-17/h3-4,7H,5-6,8H2,1-2H3
InChIKeyDNCGCIFRBGHIDW-UHFFFAOYSA-N
XLogP2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine?
The IUPAC name of 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine (CID 131995664) is 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine.
What is the SMILES notation for 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine?
The canonical SMILES for 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine is Cc1ccc(N2CCN(C)C2)c(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine?
The InChIKey is DNCGCIFRBGHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-9-3-4-11(10(7-9)12(13,14)15)17-6-5-16(2)8-17/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine?
1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine has a molecular weight of 244.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-methyl-2-(trifluoromethyl)phenyl]imidazolidine is sourced from PubChem (CID 131995664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).