2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide

C10H17N3O2 — CID 23629743

IUPAC2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-2-3-4-5-11-9(14)6-8-7-12-10(15)13-8/h7H,2-6H2,1H3,(H,11,14)(H2,12,13,15)
InChIKeyNKQFPYTYHDOJBZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.55
Rot. Bonds6

About 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide

2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide (PubChem CID 23629743) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide
PubChem CID23629743
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-2-3-4-5-11-9(14)6-8-7-12-10(15)13-8/h7H,2-6H2,1H3,(H,11,14)(H2,12,13,15)
InChIKeyNKQFPYTYHDOJBZ-UHFFFAOYSA-N
XLogP0.55
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]propanamide
CID 71019090
2-[3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 71019100
4-(2-Oxobutyl)-1,3-dihydroimidazol-2-one
CID 89228982
6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide
CID 141029696
N-[2-(3-ethyl-1,2-dihydroimidazol-5-yl)ethyl]acetamide
CID 142959961
N-[2-(3-methyl-1-propyl-2H-imidazol-4-yl)ethyl]acetamide
CID 142959966
5-butyl-3-propanoyl-1H-imidazol-2-one
CID 150924342
3-butanoyl-5-butyl-1H-imidazol-2-one
CID 154446074
5-ethyl-3-pentanoyl-1H-imidazol-2-one
CID 154446077
N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide
CID 156742780
N,N-diethyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629707
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-propylacetamide
CID 23629708

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide?
The IUPAC name of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide (CID 23629743) is 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide?
The InChIKey is NKQFPYTYHDOJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-4-5-11-9(14)6-8-7-12-10(15)13-8/h7H,2-6H2,1H3,(H,11,14)(H2,12,13,15).
What are the key properties of 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide?
2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide has a molecular weight of 211.26 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroimidazol-4-yl)-N-pentylacetamide is sourced from PubChem (CID 23629743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).