2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole

C13H21N3 — CID 105474943

IUPAC2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole
SMILESCC(C)c1nc(C2CNC2)[nH]c1C1CCC1
InChIInChI=1S/C13H21N3/c1-8(2)11-12(9-4-3-5-9)16-13(15-11)10-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyKAKIJKPBOLURKX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.49
Rot. Bonds3

About 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole

2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole (PubChem CID 105474943) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole
PubChem CID105474943
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole
SMILESCC(C)c1nc(C2CNC2)[nH]c1C1CCC1
InChIInChI=1S/C13H21N3/c1-8(2)11-12(9-4-3-5-9)16-13(15-11)10-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyKAKIJKPBOLURKX-UHFFFAOYSA-N
XLogP2.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-5-cyclopentyl-4-propan-2-yl-1H-imidazole
CID 105493632
4-(azetidin-3-yl)-2-cyclobutyl-5-methyl-1H-imidazole
CID 105445538
5-(2-methylpropyl)-4-propan-2-yl-2-pyrrolidin-3-yl-1H-imidazole
CID 105497006
(2-cyclohexyl-4-propan-2-yl-1H-imidazol-5-yl)methanamine
CID 82373843
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
4-(1-chloro-2-methylpropyl)-2-cyclopropyl-5-methyl-1H-imidazole
CID 22412123
2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 115012866
5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 82234810
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
5-methyl-4-propan-2-yl-2-pyrrolidin-3-yl-1,3-thiazole
CID 105464488
2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
CID 83637053
2-(5-cyclopentyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanamine
CID 121213122

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole?
The IUPAC name of 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole (CID 105474943) is 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole is CC(C)c1nc(C2CNC2)[nH]c1C1CCC1.
What is the InChIKey of 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole?
The InChIKey is KAKIJKPBOLURKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)11-12(9-4-3-5-9)16-13(15-11)10-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole?
2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole has a molecular weight of 219.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 105474943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).