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

C7H11FN2O — CID 69179192

IUPAC3-(1-fluorobutyl)-1H-imidazol-2-one
SMILESCCCC(F)n1cc[nH]c1=O
InChIInChI=1S/C7H11FN2O/c1-2-3-6(8)10-5-4-9-7(10)11/h4-6H,2-3H2,1H3,(H,9,11)
InChIKeyOJAHJIKDQFRDKJ-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.44
Rot. Bonds3

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

3-(1-fluorobutyl)-1H-imidazol-2-one (PubChem CID 69179192) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 3-(1-fluorobutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-fluorobutyl)-1H-imidazol-2-one
PubChem CID69179192
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name3-(1-fluorobutyl)-1H-imidazol-2-one
SMILESCCCC(F)n1cc[nH]c1=O
InChIInChI=1S/C7H11FN2O/c1-2-3-6(8)10-5-4-9-7(10)11/h4-6H,2-3H2,1H3,(H,9,11)
InChIKeyOJAHJIKDQFRDKJ-UHFFFAOYSA-N
XLogP1.44
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
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-Ethyl-3-(3-fluoropropyl)imidazol-2-one
CID 116624395
1-(3-Fluoropropyl)-3-methylimidazol-2-one
CID 116624625
1-(2-Fluoroethyl)-3-propylimidazol-2-one
CID 116624848
1-(3-Fluoropropyl)-3-propylimidazol-2-one
CID 116624924
3-(1,1-difluoropropan-2-yl)-1H-imidazol-2-one
CID 127011533

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorobutyl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-fluorobutyl)-1H-imidazol-2-one (CID 69179192) is 3-(1-fluorobutyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-fluorobutyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-fluorobutyl)-1H-imidazol-2-one is CCCC(F)n1cc[nH]c1=O.
What is the InChIKey of 3-(1-fluorobutyl)-1H-imidazol-2-one?
The InChIKey is OJAHJIKDQFRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-2-3-6(8)10-5-4-9-7(10)11/h4-6H,2-3H2,1H3,(H,9,11).
What are the key properties of 3-(1-fluorobutyl)-1H-imidazol-2-one?
3-(1-fluorobutyl)-1H-imidazol-2-one has a molecular weight of 158.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorobutyl)-1H-imidazol-2-one is sourced from PubChem (CID 69179192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).