2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole

C16H18F3N3 — CID 155942479

IUPAC2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
SMILESCc1nccn1CC1CN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18F3N3/c1-12-20-5-6-22(12)11-14-9-21(10-14)8-13-3-2-4-15(7-13)16(17,18)19/h2-7,14H,8-11H2,1H3
InChIKeyXDHGVNNEPZIRKO-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole

2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole (PubChem CID 155942479) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
PubChem CID155942479
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole
SMILESCc1nccn1CC1CN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18F3N3/c1-12-20-5-6-22(12)11-14-9-21(10-14)8-13-3-2-4-15(7-13)16(17,18)19/h2-7,14H,8-11H2,1H3
InChIKeyXDHGVNNEPZIRKO-UHFFFAOYSA-N
XLogP3.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 74244860
1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
CID 155942481
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346162
(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95539312
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
3,4-dimethyl-1-phenyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803013
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole?
The IUPAC name of 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole (CID 155942479) is 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole.
What is the SMILES notation for 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole?
The canonical SMILES for 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole is Cc1nccn1CC1CN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole?
The InChIKey is XDHGVNNEPZIRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-12-20-5-6-22(12)11-14-9-21(10-14)8-13-3-2-4-15(7-13)16(17,18)19/h2-7,14H,8-11H2,1H3.
What are the key properties of 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole?
2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole has a molecular weight of 309.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]methyl]imidazole is sourced from PubChem (CID 155942479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).