3-(4-fluorobutyl)-1H-imidazol-2-one

C7H11FN2O — CID 130593371

IUPAC3-(4-fluorobutyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCCF
InChIInChI=1S/C7H11FN2O/c8-3-1-2-5-10-6-4-9-7(10)11/h4,6H,1-3,5H2,(H,9,11)
InChIKeyKCAIKXDKBUMTBF-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.93
Rot. Bonds4

About 3-(4-fluorobutyl)-1H-imidazol-2-one

3-(4-fluorobutyl)-1H-imidazol-2-one (PubChem CID 130593371) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 3-(4-fluorobutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-fluorobutyl)-1H-imidazol-2-one
PubChem CID130593371
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name3-(4-fluorobutyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCCCF
InChIInChI=1S/C7H11FN2O/c8-3-1-2-5-10-6-4-9-7(10)11/h4,6H,1-3,5H2,(H,9,11)
InChIKeyKCAIKXDKBUMTBF-UHFFFAOYSA-N
XLogP0.93
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.93
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

3-(1-fluorobutyl)-1H-imidazol-2-one
CID 69179192
3-(2,2-difluoroethyl)-1H-imidazol-2-one
CID 103125858
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013724
3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
CID 141356430
3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
CID 103124913
3-(3,3,3-trifluoropropyl)-1H-imidazol-2-one
CID 103125619
3-(5,5,5-trifluoropentyl)-1H-imidazol-2-one
CID 103125863
3-(4,4,4-trifluorobutan-2-yl)-1H-imidazol-2-one
CID 105928736
3-(2,2,3,3-tetrafluoropropyl)-1H-imidazol-2-one
CID 106290863
1-(3-Fluoropropyl)-3-methylimidazol-2-one
CID 116624625
3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one
CID 127011533

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobutyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-fluorobutyl)-1H-imidazol-2-one (CID 130593371) is 3-(4-fluorobutyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-fluorobutyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-fluorobutyl)-1H-imidazol-2-one is O=c1[nH]ccn1CCCCF.
What is the InChIKey of 3-(4-fluorobutyl)-1H-imidazol-2-one?
The InChIKey is KCAIKXDKBUMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-3-1-2-5-10-6-4-9-7(10)11/h4,6H,1-3,5H2,(H,9,11).
What are the key properties of 3-(4-fluorobutyl)-1H-imidazol-2-one?
3-(4-fluorobutyl)-1H-imidazol-2-one has a molecular weight of 158.18 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobutyl)-1H-imidazol-2-one is sourced from PubChem (CID 130593371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).