2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide

C11H19N3O — CID 25134061

IUPAC2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cc1cnc[nH]1)C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)14(9(3)4)11(15)5-10-6-12-7-13-10/h6-9H,5H2,1-4H3,(H,12,13)
InChIKeyLUIBRXBPVDKCBM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds4

About 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide

2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 25134061) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID25134061
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cc1cnc[nH]1)C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)14(9(3)4)11(15)5-10-6-12-7-13-10/h6-9H,5H2,1-4H3,(H,12,13)
InChIKeyLUIBRXBPVDKCBM-UHFFFAOYSA-N
XLogP1.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide (CID 25134061) is 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cc1cnc[nH]1)C(C)C.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is LUIBRXBPVDKCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14(9(3)4)11(15)5-10-6-12-7-13-10/h6-9H,5H2,1-4H3,(H,12,13).
What are the key properties of 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide?
2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 25134061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).