6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide

C10H17N3O2 — CID 141029696

IUPAC6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide
SMILESCc1c[nH]c(=O)n1CCCCCC(N)=O
InChIInChI=1S/C10H17N3O2/c1-8-7-12-10(15)13(8)6-4-2-3-5-9(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,12,15)
InChIKeyIYGRVTFSJSWNHT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.53
Rot. Bonds6

About 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide

6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide (PubChem CID 141029696) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide.

Molecular Properties

Compound Name6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide
PubChem CID141029696
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide
SMILESCc1c[nH]c(=O)n1CCCCCC(N)=O
InChIInChI=1S/C10H17N3O2/c1-8-7-12-10(15)13(8)6-4-2-3-5-9(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,12,15)
InChIKeyIYGRVTFSJSWNHT-UHFFFAOYSA-N
XLogP0.53
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide?
The IUPAC name of 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide (CID 141029696) is 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide.
What is the SMILES notation for 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide?
The canonical SMILES for 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide is Cc1c[nH]c(=O)n1CCCCCC(N)=O.
What is the InChIKey of 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide?
The InChIKey is IYGRVTFSJSWNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-7-12-10(15)13(8)6-4-2-3-5-9(11)14/h7H,2-6H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide?
6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide has a molecular weight of 211.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-oxo-1H-imidazol-3-yl)hexanamide is sourced from PubChem (CID 141029696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).