2-pentyl-1,4-dihydroimidazol-5-one

C8H14N2O — CID 67877839

IUPAC2-pentyl-1,4-dihydroimidazol-5-one
SMILESCCCCCC1=NCC(=O)N1
InChIInChI=1S/C8H14N2O/c1-2-3-4-5-7-9-6-8(11)10-7/h2-6H2,1H3,(H,9,10,11)
InChIKeyMSDPELKGMBZQSB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.10
Rot. Bonds4

About 2-pentyl-1,4-dihydroimidazol-5-one

2-pentyl-1,4-dihydroimidazol-5-one (PubChem CID 67877839) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-pentyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-pentyl-1,4-dihydroimidazol-5-one
PubChem CID67877839
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-pentyl-1,4-dihydroimidazol-5-one
SMILESCCCCCC1=NCC(=O)N1
InChIInChI=1S/C8H14N2O/c1-2-3-4-5-7-9-6-8(11)10-7/h2-6H2,1H3,(H,9,10,11)
InChIKeyMSDPELKGMBZQSB-UHFFFAOYSA-N
XLogP1.10
TPSA41.46 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 ≤ 51.10
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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Related Compounds

2-Ethyl-3,5-dihydroimidazol-4-one
CID 57435862
2-butyl-3,5-dihydro-4H-imidazol-4-one
CID 10909654
2-butyl-4,4-dimethyl-1H-imidazol-5-one
CID 15745372
2-Propyl-1H-imidazol-4(5H)-one
CID 19391756
2-(3-Methylbutyl)-1,4-dihydroimidazol-5-one
CID 20774502
2-Propan-2-yl-1,4-dihydroimidazol-5-one
CID 22898625
2-(2-Methylpropyl)-1,4-dihydroimidazol-5-one
CID 58718521
2-Methyl-4-propyl-1,4-dihydroimidazol-5-one
CID 59373423
2-(Cyclopropylmethyl)-1,4-dihydroimidazol-5-one
CID 67131598
2,4-Diethyl-1,4-dihydroimidazol-5-one
CID 70418420
N-(C,N-dibutylcarbonimidoyl)acetamide
CID 87419306
2-(4,4-Dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one
CID 89273786

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-pentyl-1,4-dihydroimidazol-5-one (CID 67877839) is 2-pentyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-pentyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-pentyl-1,4-dihydroimidazol-5-one is CCCCCC1=NCC(=O)N1.
What is the InChIKey of 2-pentyl-1,4-dihydroimidazol-5-one?
The InChIKey is MSDPELKGMBZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-4-5-7-9-6-8(11)10-7/h2-6H2,1H3,(H,9,10,11).
What are the key properties of 2-pentyl-1,4-dihydroimidazol-5-one?
2-pentyl-1,4-dihydroimidazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 67877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).