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

C11H19N3 — CID 105447579

IUPAC5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole
SMILESCC(C)Cc1ncc(CC2CNC2)[nH]1
InChIInChI=1S/C11H19N3/c1-8(2)3-11-13-7-10(14-11)4-9-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySWKGBAICCWZQDC-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.37
Rot. Bonds4

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

5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole (PubChem CID 105447579) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole
PubChem CID105447579
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole
SMILESCC(C)Cc1ncc(CC2CNC2)[nH]1
InChIInChI=1S/C11H19N3/c1-8(2)3-11-13-7-10(14-11)4-9-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySWKGBAICCWZQDC-UHFFFAOYSA-N
XLogP1.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole
CID 105438389
5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole
CID 105458203
2-(2,3-dimethylpentyl)-5-(2-methylpropyl)-1H-imidazole
CID 126657488
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
2-(azetidin-3-ylmethyl)-1H-imidazole-5-carboxylic acid
CID 105439326
3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
CID 84658193
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934
3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol
CID 105486689
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 105482444
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole
CID 105462160
2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 84652111

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole?
The IUPAC name of 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole (CID 105447579) is 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole?
The canonical SMILES for 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole is CC(C)Cc1ncc(CC2CNC2)[nH]1.
What is the InChIKey of 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole?
The InChIKey is SWKGBAICCWZQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)3-11-13-7-10(14-11)4-9-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole?
5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole has a molecular weight of 193.29 g/mol, XLogP of 1.37, 4 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-(2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 105447579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).