2-butan-2-yl-1H-imidazole;ethane

C9H18N2 — CID 156722843

IUPAC2-butan-2-yl-1H-imidazole;ethane
SMILESCC.CCC(C)c1ncc[nH]1
InChIInChI=1S/C7H12N2.C2H6/c1-3-6(2)7-8-4-5-9-7;1-2/h4-6H,3H2,1-2H3,(H,8,9);1-2H3
InChIKeyQWJDEXZZOMACSR-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.95
Rot. Bonds2

About 2-butan-2-yl-1H-imidazole;ethane

2-butan-2-yl-1H-imidazole;ethane (PubChem CID 156722843) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-butan-2-yl-1H-imidazole;ethane.

Molecular Properties

Compound Name2-butan-2-yl-1H-imidazole;ethane
PubChem CID156722843
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-butan-2-yl-1H-imidazole;ethane
SMILESCC.CCC(C)c1ncc[nH]1
InChIInChI=1S/C7H12N2.C2H6/c1-3-6(2)7-8-4-5-9-7;1-2/h4-6H,3H2,1-2H3,(H,8,9);1-2H3
InChIKeyQWJDEXZZOMACSR-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
2-hexan-2-yl-1H-imidazole
CID 54215570
2-(1-methylsulfanylpropan-2-yl)-1H-imidazole
CID 66924438
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
2-butan-2-yl-1H-pyrimidine-6-thione
CID 106476513
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
2-(1-bromobutyl)-1H-imidazole
CID 19936731
2-(ethylamino)-1-(1H-imidazol-2-yl)ethanethiol
CID 57073754

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1H-imidazole;ethane?
The IUPAC name of 2-butan-2-yl-1H-imidazole;ethane (CID 156722843) is 2-butan-2-yl-1H-imidazole;ethane.
What is the SMILES notation for 2-butan-2-yl-1H-imidazole;ethane?
The canonical SMILES for 2-butan-2-yl-1H-imidazole;ethane is CC.CCC(C)c1ncc[nH]1.
What is the InChIKey of 2-butan-2-yl-1H-imidazole;ethane?
The InChIKey is QWJDEXZZOMACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-6(2)7-8-4-5-9-7;1-2/h4-6H,3H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of 2-butan-2-yl-1H-imidazole;ethane?
2-butan-2-yl-1H-imidazole;ethane has a molecular weight of 154.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1H-imidazole;ethane is sourced from PubChem (CID 156722843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).