2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide

C9H16N4O — CID 165483273

IUPAC2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1ccnc1N
InChIInChI=1S/C9H16N4O/c1-9(2,3)12-7(14)6-13-5-4-11-8(13)10/h4-5H,6H2,1-3H3,(H2,10,11)(H,12,14)
InChIKeyILIJWRGOVGNBDJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds2

About 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide

2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide (PubChem CID 165483273) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide
PubChem CID165483273
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1ccnc1N
InChIInChI=1S/C9H16N4O/c1-9(2,3)12-7(14)6-13-5-4-11-8(13)10/h4-5H,6H2,1-3H3,(H2,10,11)(H,12,14)
InChIKeyILIJWRGOVGNBDJ-UHFFFAOYSA-N
XLogP0.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide (CID 165483273) is 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)Cn1ccnc1N.
What is the InChIKey of 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide?
The InChIKey is ILIJWRGOVGNBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,3)12-7(14)6-13-5-4-11-8(13)10/h4-5H,6H2,1-3H3,(H2,10,11)(H,12,14).
What are the key properties of 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide?
2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 165483273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).