5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole

C12H19N3 — CID 105458203

IUPAC5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole
SMILESc1nc(C2CCCC2)[nH]c1CC1CNC1
InChIInChI=1S/C12H19N3/c1-2-4-10(3-1)12-14-8-11(15-12)5-9-6-13-7-9/h8-10,13H,1-7H2,(H,14,15)
InChIKeyGCENNPMEXAHBRY-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.83
Rot. Bonds3

About 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole

5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole (PubChem CID 105458203) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole
PubChem CID105458203
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole
SMILESc1nc(C2CCCC2)[nH]c1CC1CNC1
InChIInChI=1S/C12H19N3/c1-2-4-10(3-1)12-14-8-11(15-12)5-9-6-13-7-9/h8-10,13H,1-7H2,(H,14,15)
InChIKeyGCENNPMEXAHBRY-UHFFFAOYSA-N
XLogP1.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole?
The IUPAC name of 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole (CID 105458203) is 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole.
What is the SMILES notation for 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole?
The canonical SMILES for 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole is c1nc(C2CCCC2)[nH]c1CC1CNC1.
What is the InChIKey of 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole?
The InChIKey is GCENNPMEXAHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-4-10(3-1)12-14-8-11(15-12)5-9-6-13-7-9/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole?
5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole has a molecular weight of 205.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole is sourced from PubChem (CID 105458203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).