2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide

C11H21N3O — CID 67096465

IUPAC2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide
SMILESCC(C)N1C=CN(C(C)C)C1CC(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)13-5-6-14(9(3)4)11(13)7-10(12)15/h5-6,8-9,11H,7H2,1-4H3,(H2,12,15)
InChIKeyUBSUTLCIMASSPK-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.09
Rot. Bonds4

About 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide

2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide (PubChem CID 67096465) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide
PubChem CID67096465
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide
SMILESCC(C)N1C=CN(C(C)C)C1CC(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)13-5-6-14(9(3)4)11(13)7-10(12)15/h5-6,8-9,11H,7H2,1-4H3,(H2,12,15)
InChIKeyUBSUTLCIMASSPK-UHFFFAOYSA-N
XLogP1.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide?
The IUPAC name of 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide (CID 67096465) is 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide?
The canonical SMILES for 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide is CC(C)N1C=CN(C(C)C)C1CC(N)=O.
What is the InChIKey of 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide?
The InChIKey is UBSUTLCIMASSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)13-5-6-14(9(3)4)11(13)7-10(12)15/h5-6,8-9,11H,7H2,1-4H3,(H2,12,15).
What are the key properties of 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide?
2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-di(propan-2-yl)-2H-imidazol-2-yl]acetamide is sourced from PubChem (CID 67096465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).