3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one

C11H8F2N4OS — CID 17484862

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1nccn1C(F)F
InChIInChI=1S/C11H8F2N4OS/c12-11(13)17-3-2-14-8(17)5-16-6-15-7-1-4-19-9(7)10(16)18/h1-4,6,11H,5H2
InChIKeyXLOMBOCMGGIXBF-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.10
Rot. Bonds3

About 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one

3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 17484862) has the molecular formula C11H8F2N4OS and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID17484862
Molecular FormulaC11H8F2N4OS
Molecular Weight282.27 g/mol
Exact Mass282.04
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1nccn1C(F)F
InChIInChI=1S/C11H8F2N4OS/c12-11(13)17-3-2-14-8(17)5-16-6-15-7-1-4-19-9(7)10(16)18/h1-4,6,11H,5H2
InChIKeyXLOMBOCMGGIXBF-UHFFFAOYSA-N
XLogP2.10
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
3-[1-(1H-imidazol-1-ylmethyl)propyl]-7-methylthieno[3,2-d]pyrimidin-4(3H)-one formate
CID 45933083
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 53620088
3-(acetylamino)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 56742919
3-[2-(1-Ethylimidazol-2-yl)sulfanylethyl]thieno[3,2-d]pyrimidin-4-one
CID 71995666
3-[2-(2-Propylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 75433230
3-[2-(2-Propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 84599541
2-(Imidazol-1-ylmethyl)-9-(thiophen-2-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97382248
[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-2-ylmethanone
CID 97384409
[4-(1-Methyl-2-imidazolyl)-1-piperazinyl](2-thienyl)methanone
CID 25284838
(4-(2-(1H-imidazol-1-yl)ethyl)piperazin-1-yl)(thiophen-2-yl)methanone
CID 71788590
[2-(1-Methylimidazol-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 132283177

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 17484862) is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1Cc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XLOMBOCMGGIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4OS/c12-11(13)17-3-2-14-8(17)5-16-6-15-7-1-4-19-9(7)10(16)18/h1-4,6,11H,5H2.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 282.27 g/mol, XLogP of 2.10, 3 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]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 17484862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).