3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one

C8H13FN2O — CID 130643618

IUPAC3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCCF)c1C
InChIInChI=1S/C8H13FN2O/c1-6-7(2)11(5-3-4-9)8(12)10-6/h3-5H2,1-2H3,(H,10,12)
InChIKeyHTBBAZNVNZIUPS-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.15
Rot. Bonds3

About 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one

3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one (PubChem CID 130643618) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one
PubChem CID130643618
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCCF)c1C
InChIInChI=1S/C8H13FN2O/c1-6-7(2)11(5-3-4-9)8(12)10-6/h3-5H2,1-2H3,(H,10,12)
InChIKeyHTBBAZNVNZIUPS-UHFFFAOYSA-N
XLogP1.15
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 123549498
3,4,5-trimethyl-1H-imidazol-2-one
CID 14823703
3-ethyl-4,5-dimethyl-1H-imidazol-2-one
CID 14896912
3-(2-fluoroethyl)-4,5-dimethyl-1H-imidazol-2-one
CID 130643576
3-(2,2-difluoroethyl)-4,5-dimethyl-1H-imidazol-2-one
CID 130662758
4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one
CID 143790256
3,4,5-triethyl-1H-imidazol-2-one
CID 21856643
4,5-dimethyl-3-propan-2-yl-1H-imidazol-2-one
CID 14896913
ethane;3,4,5-trimethyl-1H-imidazol-2-one
CID 145011155
3-Ethyl-5,6-dimethyl-1,4-dihydropyrimidin-2-one
CID 170981391
3-(2-amino-2-methylpropyl)-4,5-dimethyl-1H-imidazol-2-one
CID 82407084
3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one
CID 82412780

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one (CID 130643618) is 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(CCCF)c1C.
What is the InChIKey of 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one?
The InChIKey is HTBBAZNVNZIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-6-7(2)11(5-3-4-9)8(12)10-6/h3-5H2,1-2H3,(H,10,12).
What are the key properties of 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one?
3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one has a molecular weight of 172.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-4,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 130643618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).