2-(1H-imidazol-5-yl)-N,N-dipropylacetamide

C11H19N3O — CID 25134060

IUPAC2-(1H-imidazol-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C11H19N3O/c1-3-5-14(6-4-2)11(15)7-10-8-12-9-13-10/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyJCWHKZVFMSFXBU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.60
Rot. Bonds6

About 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide

2-(1H-imidazol-5-yl)-N,N-dipropylacetamide (PubChem CID 25134060) 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-dipropylacetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N,N-dipropylacetamide
PubChem CID25134060
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(1H-imidazol-5-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C11H19N3O/c1-3-5-14(6-4-2)11(15)7-10-8-12-9-13-10/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyJCWHKZVFMSFXBU-UHFFFAOYSA-N
XLogP1.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

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CID 2574
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CID 44328318
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CID 86566962
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CID 24826317
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CID 14742544
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CID 42625303
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CID 42625386
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CID 10805811
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide (CID 25134060) is 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide?
The InChIKey is JCWHKZVFMSFXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-14(6-4-2)11(15)7-10-8-12-9-13-10/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1H-imidazol-5-yl)-N,N-dipropylacetamide?
2-(1H-imidazol-5-yl)-N,N-dipropylacetamide has a molecular weight of 209.29 g/mol, XLogP of 1.60, 6 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-dipropylacetamide is sourced from PubChem (CID 25134060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).