2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine

C17H24N4O — CID 141198916

IUPAC2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine
SMILESCC(C)(C)c1nc(-c2cnccn2)cn1CC1CCOCC1
InChIInChI=1S/C17H24N4O/c1-17(2,3)16-20-15(14-10-18-6-7-19-14)12-21(16)11-13-4-8-22-9-5-13/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyZWTBRYUXKGFWSX-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.06
Rot. Bonds3

About 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine

2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine (PubChem CID 141198916) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine
PubChem CID141198916
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine
SMILESCC(C)(C)c1nc(-c2cnccn2)cn1CC1CCOCC1
InChIInChI=1S/C17H24N4O/c1-17(2,3)16-20-15(14-10-18-6-7-19-14)12-21(16)11-13-4-8-22-9-5-13/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyZWTBRYUXKGFWSX-UHFFFAOYSA-N
XLogP3.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine?
The IUPAC name of 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine (CID 141198916) is 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine.
What is the SMILES notation for 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine?
The canonical SMILES for 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine is CC(C)(C)c1nc(-c2cnccn2)cn1CC1CCOCC1.
What is the InChIKey of 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine?
The InChIKey is ZWTBRYUXKGFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2,3)16-20-15(14-10-18-6-7-19-14)12-21(16)11-13-4-8-22-9-5-13/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine?
2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine has a molecular weight of 300.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyrazine is sourced from PubChem (CID 141198916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).