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

C9H15N3O2 — CID 23629712

IUPACN-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCCCCNC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-3-4-10-8(13)5-7-6-11-9(14)12-7/h6H,2-5H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeySLLHPSJQYFPOCP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.16
Rot. Bonds5

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

N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide (PubChem CID 23629712) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
PubChem CID23629712
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
SMILESCCCCNC(=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-3-4-10-8(13)5-7-6-11-9(14)12-7/h6H,2-5H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeySLLHPSJQYFPOCP-UHFFFAOYSA-N
XLogP0.16
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.16
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-[2-oxo-3-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]acetamide
CID 71019089
2-[3-(2-fluoroethyl)-2-oxo-1H-imidazol-5-yl]acetamide
CID 89193221
4-(2-Oxopropyl)-1,3-dihydroimidazol-2-one
CID 68390283
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
N-butyl-2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 91265304
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
3-butanoyl-5-ethyl-1H-imidazol-2-one
CID 154446076
3-amino-N-(3-oxobutyl)but-3-enamide
CID 155242584
(Z)-4-amino-3-[[carbamoyl(methyl)carbamoyl]amino]but-3-enamide
CID 164055200

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The IUPAC name of N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide (CID 23629712) is N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The canonical SMILES for N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide is CCCCNC(=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
The InChIKey is SLLHPSJQYFPOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-4-10-8(13)5-7-6-11-9(14)12-7/h6H,2-5H2,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide?
N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide is sourced from PubChem (CID 23629712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).