5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole

C9H12F3N3 — CID 123151155

IUPAC5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C2CCCN2)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-5-7(9(10,11)12)15-8(14-5)6-3-2-4-13-6/h6,13H,2-4H2,1H3,(H,14,15)
InChIKeyBPIVOGVIHFKZCQ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.16
Rot. Bonds1

About 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole

5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole (PubChem CID 123151155) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole
PubChem CID123151155
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C2CCCN2)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3/c1-5-7(9(10,11)12)15-8(14-5)6-3-2-4-13-6/h6,13H,2-4H2,1H3,(H,14,15)
InChIKeyBPIVOGVIHFKZCQ-UHFFFAOYSA-N
XLogP2.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole (CID 123151155) is 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole is Cc1[nH]c(C2CCCN2)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is BPIVOGVIHFKZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5-7(9(10,11)12)15-8(14-5)6-3-2-4-13-6/h6,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole?
5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 219.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 123151155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).