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

C10H17N3 — CID 105438389

IUPAC2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(CC2CNC2)[nH]1
InChIInChI=1S/C10H17N3/c1-7(2)9-6-12-10(13-9)3-8-4-11-5-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyAYUMNHCMOXJHET-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.29
Rot. Bonds3

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

2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole (PubChem CID 105438389) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole
PubChem CID105438389
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(CC2CNC2)[nH]1
InChIInChI=1S/C10H17N3/c1-7(2)9-6-12-10(13-9)3-8-4-11-5-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyAYUMNHCMOXJHET-UHFFFAOYSA-N
XLogP1.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole
CID 105447579
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 82237976
2-(azetidin-3-ylmethyl)-1H-imidazole-5-carboxylic acid
CID 105439326
2-(cyclopropylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475340
2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 84652111
2,5-di(propan-2-yl)-1H-imidazole
CID 161147285
ethane;5-propan-2-yl-1H-imidazol-2-amine
CID 163265952
2-(azetidin-3-ylmethyl)-6-bromo-1H-imidazo[4,5-b]pyridine
CID 64610224
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934
5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole
CID 105458203

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole (CID 105438389) is 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole is CC(C)c1cnc(CC2CNC2)[nH]1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole?
The InChIKey is AYUMNHCMOXJHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-6-12-10(13-9)3-8-4-11-5-8/h6-8,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole?
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 105438389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).