4-hexyl-1,3-dihydroimidazol-2-one

C9H16N2O — CID 14572724

IUPAC4-hexyl-1,3-dihydroimidazol-2-one
SMILESCCCCCCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-6-8-7-10-9(12)11-8/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyVEGGGYDLBWFGCO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds5

About 4-hexyl-1,3-dihydroimidazol-2-one

4-hexyl-1,3-dihydroimidazol-2-one (PubChem CID 14572724) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hexyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-hexyl-1,3-dihydroimidazol-2-one
PubChem CID14572724
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-hexyl-1,3-dihydroimidazol-2-one
SMILESCCCCCCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-6-8-7-10-9(12)11-8/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyVEGGGYDLBWFGCO-UHFFFAOYSA-N
XLogP1.83
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-propyl-1H-imidazol-2(3H)-one
CID 15567529
5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
4-(3-Aminopropyl)-1,3-dihydroimidazol-2-one
CID 11458001
4-Pentyl-1,3-dihydroimidazol-2-one
CID 14572723
1,4-Dibutylimidazol-2-one
CID 15405728
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
CID 18384161
3-butyl-5-cyclohexyl-1H-imidazol-2-one
CID 18384184
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
3-butyl-5-(3-methylbutyl)-1H-imidazol-2-one
CID 18384306
5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one
CID 18384322
5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one
CID 18384329

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-hexyl-1,3-dihydroimidazol-2-one (CID 14572724) is 4-hexyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-hexyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-hexyl-1,3-dihydroimidazol-2-one is CCCCCCc1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-hexyl-1,3-dihydroimidazol-2-one?
The InChIKey is VEGGGYDLBWFGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-5-6-8-7-10-9(12)11-8/h7H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 4-hexyl-1,3-dihydroimidazol-2-one?
4-hexyl-1,3-dihydroimidazol-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 14572724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).