Atipamezole

C14H16N2 — CID 71310

IUPAC5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole
SMILESCCC1(CC2=CC=CC=C2C1)C3=CN=CN3
InChIInChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKeyHSWPZIDYAHLZDD-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.00
Rot. Bonds2

About Atipamezole

Atipamezole (PubChem CID 71310) has the molecular formula C14H16N2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole.

Molecular Properties

Compound NameAtipamezole
PubChem CID71310
Molecular FormulaC14H16N2
Molecular Weight212.29 g/mol
Exact Mass212.13
IUPAC Name5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole
SMILESCCC1(CC2=CC=CC=C2C1)C3=CN=CN3
InChIInChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKeyHSWPZIDYAHLZDD-UHFFFAOYSA-N
XLogP3.00
TPSA28.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity237

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Detomidine Hydrochloride
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Medetomidine Hydrochloride
CID 68601
4-Phenylimidazole
CID 69590
Fipamezole
CID 213041
Atipamezole Hydrochloride
CID 13649426
4-benzyl-1H-imidazole
CID 594090
Detomidine
CID 56032
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CID 132110
Dimethylhistaprodifen
CID 10042467

Frequently Asked Questions

What is the IUPAC name of Atipamezole?
The IUPAC name of Atipamezole (CID 71310) is 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole.
What is the SMILES notation for Atipamezole?
The canonical SMILES for Atipamezole is CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.
What is the InChIKey of Atipamezole?
The InChIKey is HSWPZIDYAHLZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16).
What are the key properties of Atipamezole?
Atipamezole has a molecular weight of 212.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Atipamezole is sourced from PubChem (CID 71310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).