1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole

C11H16F3N3 — CID 172596773

IUPAC1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
SMILESCCCc1nc(C(F)(F)F)cn1C1CN(C)C1
InChIInChI=1S/C11H16F3N3/c1-3-4-10-15-9(11(12,13)14)7-17(10)8-5-16(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyHBMMDBFVHAMJRR-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.34
Rot. Bonds3

About 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole

1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole (PubChem CID 172596773) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
PubChem CID172596773
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
SMILESCCCc1nc(C(F)(F)F)cn1C1CN(C)C1
InChIInChI=1S/C11H16F3N3/c1-3-4-10-15-9(11(12,13)14)7-17(10)8-5-16(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyHBMMDBFVHAMJRR-UHFFFAOYSA-N
XLogP2.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
CID 172585743
4-(1,1-difluoroethyl)-1-(1-methylazetidin-3-yl)-2-propan-2-ylimidazole;ethane
CID 170707303
4-tert-butyl-1-cyclopentyl-2-ethylimidazole
CID 167328090
CID 172596873
CID 172596873
7-methyl-1-propyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 162606875
1-cycloheptyl-2-propylimidazole-4-sulfonamide
CID 82935138
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 128978577
2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83851254
(3S)-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
CID 90215365
1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole
CID 172584491
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
2-N-ethyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717660

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole (CID 172596773) is 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole is CCCc1nc(C(F)(F)F)cn1C1CN(C)C1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
The InChIKey is HBMMDBFVHAMJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-3-4-10-15-9(11(12,13)14)7-17(10)8-5-16(2)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole has a molecular weight of 247.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 172596773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).