1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole

C21H36N4O — CID 170205765

IUPAC1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole
SMILESCC(C)(C)c1ccn(C(C)(C)OCC(C)(C)c2cn(C(C)(C)C)cn2)n1
InChIInChI=1S/C21H36N4O/c1-18(2,3)16-11-12-25(23-16)21(9,10)26-14-20(7,8)17-13-24(15-22-17)19(4,5)6/h11-13,15H,14H2,1-10H3
InChIKeyKTPJKXJSILOGQM-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.82
Rot. Bonds5

About 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole

1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole (PubChem CID 170205765) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole
PubChem CID170205765
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole
SMILESCC(C)(C)c1ccn(C(C)(C)OCC(C)(C)c2cn(C(C)(C)C)cn2)n1
InChIInChI=1S/C21H36N4O/c1-18(2,3)16-11-12-25(23-16)21(9,10)26-14-20(7,8)17-13-24(15-22-17)19(4,5)6/h11-13,15H,14H2,1-10H3
InChIKeyKTPJKXJSILOGQM-UHFFFAOYSA-N
XLogP4.82
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole?
The IUPAC name of 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole (CID 170205765) is 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole.
What is the SMILES notation for 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole?
The canonical SMILES for 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole is CC(C)(C)c1ccn(C(C)(C)OCC(C)(C)c2cn(C(C)(C)C)cn2)n1.
What is the InChIKey of 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole?
The InChIKey is KTPJKXJSILOGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-18(2,3)16-11-12-25(23-16)21(9,10)26-14-20(7,8)17-13-24(15-22-17)19(4,5)6/h11-13,15H,14H2,1-10H3.
What are the key properties of 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole?
1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole has a molecular weight of 360.55 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[2-(3-tert-butylpyrazol-1-yl)propan-2-yloxy]-2-methylpropan-2-yl]imidazole is sourced from PubChem (CID 170205765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).