1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one

C10H15F3N2O — CID 116624703

IUPAC1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCCCn1ccn(CCCC(F)(F)F)c1=O
InChIInChI=1S/C10H15F3N2O/c1-2-5-14-7-8-15(9(14)16)6-3-4-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLRNFETSJFSMRLP-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.40
Rot. Bonds5

About 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one

1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one (PubChem CID 116624703) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one.

Molecular Properties

Compound Name1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one
PubChem CID116624703
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCCCn1ccn(CCCC(F)(F)F)c1=O
InChIInChI=1S/C10H15F3N2O/c1-2-5-14-7-8-15(9(14)16)6-3-4-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLRNFETSJFSMRLP-UHFFFAOYSA-N
XLogP2.40
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-3-methyl-1H-imidazol-2(3H)-one
CID 45088397
1,3-Dibutylimidazol-2-one
CID 152141803
1-butyl-3-(trifluoromethyl)-2H-imidazole
CID 66669555
1-butyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 66952539
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
1-(3,3-difluorobutyl)-3-methyl-2H-imidazole
CID 149592236
1,3-Dibutyl-4-fluoroimidazol-2-one
CID 151172496
2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
CID 162583401
1-Tert-butyl-3-(difluoromethyl)imidazol-2-one
CID 167333407
3-(5,5,5-trifluoropentyl)-1H-imidazol-2-one
CID 103125863
2-[(3-Ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368176
3,3,3-Trifluoro-2-[(3-methyl-2-oxoimidazol-1-yl)methyl]propanenitrile
CID 103368177

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one?
The IUPAC name of 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one (CID 116624703) is 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one.
What is the SMILES notation for 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one?
The canonical SMILES for 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one is CCCn1ccn(CCCC(F)(F)F)c1=O.
What is the InChIKey of 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one?
The InChIKey is LRNFETSJFSMRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-5-14-7-8-15(9(14)16)6-3-4-10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one?
1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one has a molecular weight of 236.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(4,4,4-trifluorobutyl)imidazol-2-one is sourced from PubChem (CID 116624703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).