3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione

C12H14F2N4O2 — CID 63810447

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nccn2C(F)F)c1=O
InChIInChI=1S/C12H14F2N4O2/c1-2-5-16-6-3-10(19)18(12(16)20)8-9-15-4-7-17(9)11(13)14/h3-4,6-7,11H,2,5,8H2,1H3
InChIKeyLVJTYGJCHGBUFU-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.06
Rot. Bonds5

About 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione

3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63810447) has the molecular formula C12H14F2N4O2 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
PubChem CID63810447
Molecular FormulaC12H14F2N4O2
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2nccn2C(F)F)c1=O
InChIInChI=1S/C12H14F2N4O2/c1-2-5-16-6-3-10(19)18(12(16)20)8-9-15-4-7-17(9)11(13)14/h3-4,6-7,11H,2,5,8H2,1H3
InChIKeyLVJTYGJCHGBUFU-UHFFFAOYSA-N
XLogP1.06
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-1-[2-[3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 56779687
1-[4-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]butyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155545245
1-[3-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]propyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155560736
2,2-Difluoro-1-imidazol-1-ylpropan-1-one
CID 58341600
[4-(2,5-Dioxopyrrol-1-yl)-1,3-dimethylimidazol-1-ium-2-yl]-trifluoroboranuide
CID 139186372
1-(1-Methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one
CID 162624824
1-Methyl-4-(3-methylimidazol-3-ium-1-yl)-6-oxopyrimidin-2-olate
CID 399025
N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide
CID 56824316
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
CID 99791421
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 132374798
2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)-N-methylacetamide
CID 18722256
(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]prop-2-en-1-one
CID 71766987

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione (CID 63810447) is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2nccn2C(F)F)c1=O.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is LVJTYGJCHGBUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O2/c1-2-5-16-6-3-10(19)18(12(16)20)8-9-15-4-7-17(9)11(13)14/h3-4,6-7,11H,2,5,8H2,1H3.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione?
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 284.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63810447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).