5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole

C10H14F3N3 — CID 105492306

IUPAC5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1CC1CCNC1
InChIInChI=1S/C10H14F3N3/c1-6-8(4-7-2-3-14-5-7)16-9(15-6)10(11,12)13/h7,14H,2-5H2,1H3,(H,15,16)
InChIKeyAQYYEROIBANYQX-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.89
Rot. Bonds2

About 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole

5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 105492306) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID105492306
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCc1[nH]c(C(F)(F)F)nc1CC1CCNC1
InChIInChI=1S/C10H14F3N3/c1-6-8(4-7-2-3-14-5-7)16-9(15-6)10(11,12)13/h7,14H,2-5H2,1H3,(H,15,16)
InChIKeyAQYYEROIBANYQX-UHFFFAOYSA-N
XLogP1.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(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

Related Compounds

2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 105447590
4-methyl-2-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 105493991
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
4,6-dimethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2-thione
CID 105481256
3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 105461179
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105440268
4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84792291
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole (CID 105492306) is 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole is Cc1[nH]c(C(F)(F)F)nc1CC1CCNC1.
What is the InChIKey of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is AQYYEROIBANYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6-8(4-7-2-3-14-5-7)16-9(15-6)10(11,12)13/h7,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole?
5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 233.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 105492306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).