3-pentyl-1H-imidazol-2-one

C8H14N2O — CID 70485414

IUPAC3-pentyl-1H-imidazol-2-one
SMILESCCCCCn1cc[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-2-3-4-6-10-7-5-9-8(10)11/h5,7H,2-4,6H2,1H3,(H,9,11)
InChIKeyAUNIKHZFWCPQFT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.37
Rot. Bonds4

About 3-pentyl-1H-imidazol-2-one

3-pentyl-1H-imidazol-2-one (PubChem CID 70485414) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-pentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-pentyl-1H-imidazol-2-one
PubChem CID70485414
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-pentyl-1H-imidazol-2-one
SMILESCCCCCn1cc[nH]c1=O
InChIInChI=1S/C8H14N2O/c1-2-3-4-6-10-7-5-9-8(10)11/h5,7H,2-4,6H2,1H3,(H,9,11)
InChIKeyAUNIKHZFWCPQFT-UHFFFAOYSA-N
XLogP1.37
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-pentyl-1H-imidazol-2-one?
The IUPAC name of 3-pentyl-1H-imidazol-2-one (CID 70485414) is 3-pentyl-1H-imidazol-2-one.
What is the SMILES notation for 3-pentyl-1H-imidazol-2-one?
The canonical SMILES for 3-pentyl-1H-imidazol-2-one is CCCCCn1cc[nH]c1=O.
What is the InChIKey of 3-pentyl-1H-imidazol-2-one?
The InChIKey is AUNIKHZFWCPQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-6-10-7-5-9-8(10)11/h5,7H,2-4,6H2,1H3,(H,9,11).
What are the key properties of 3-pentyl-1H-imidazol-2-one?
3-pentyl-1H-imidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1H-imidazol-2-one is sourced from PubChem (CID 70485414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).