5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen

C11H20N2O — CID 142360740

IUPAC5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen
SMILESCC(C)(C)c1cnc(C2CCCO2)[nH]1.[H][H]
InChIInChI=1S/C11H18N2O.H2/c1-11(2,3)9-7-12-10(13-9)8-5-4-6-14-8;/h7-8H,4-6H2,1-3H3,(H,12,13);1H
InChIKeyIDRYUARPEWOCPE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.80
Rot. Bonds1

About 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen

5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen (PubChem CID 142360740) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen.

Molecular Properties

Compound Name5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen
PubChem CID142360740
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen
SMILESCC(C)(C)c1cnc(C2CCCO2)[nH]1.[H][H]
InChIInChI=1S/C11H18N2O.H2/c1-11(2,3)9-7-12-10(13-9)8-5-4-6-14-8;/h7-8H,4-6H2,1-3H3,(H,12,13);1H
InChIKeyIDRYUARPEWOCPE-UHFFFAOYSA-N
XLogP2.80
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen?
The IUPAC name of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen (CID 142360740) is 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen.
What is the SMILES notation for 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen?
The canonical SMILES for 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen is CC(C)(C)c1cnc(C2CCCO2)[nH]1.[H][H].
What is the InChIKey of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen?
The InChIKey is IDRYUARPEWOCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.H2/c1-11(2,3)9-7-12-10(13-9)8-5-4-6-14-8;/h7-8H,4-6H2,1-3H3,(H,12,13);1H.
What are the key properties of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen?
5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen has a molecular weight of 196.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen is sourced from PubChem (CID 142360740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).