1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone

C12H12ClFN4O — CID 158083569

IUPAC1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2ncc(F)c(Cl)n2)nc1C(C)C
InChIInChI=1S/C12H12ClFN4O/c1-6(2)12-16-9(5-18(12)7(3)19)11-15-4-8(14)10(13)17-11/h4-6H,1-3H3
InChIKeyLQRKYOQTMNEKNR-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.92
Rot. Bonds2

About 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone

1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone (PubChem CID 158083569) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
PubChem CID158083569
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
SMILESCC(=O)n1cc(-c2ncc(F)c(Cl)n2)nc1C(C)C
InChIInChI=1S/C12H12ClFN4O/c1-6(2)12-16-9(5-18(12)7(3)19)11-15-4-8(14)10(13)17-11/h4-6H,1-3H3
InChIKeyLQRKYOQTMNEKNR-UHFFFAOYSA-N
XLogP2.92
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Chloro-5-fluoropyrimidin-2-yl)-2-(1,1-diiodoethyl)imidazol-1-yl]ethanone
CID 132002350
1-[4-(4-Chloro-5-fluoropyrimidin-2-yl)-2-[3-(ethylideneamino)pentan-3-yl]imidazol-1-yl]ethanone
CID 163691563
4,6-Dichloro-5-fluoro-2-(3-propylimidazol-4-yl)pyrimidine
CID 80550786
4,6-Dichloro-5-fluoro-2-(3-methylimidazol-4-yl)pyrimidine
CID 80550879
4,6-Dichloro-2-(3-ethylimidazol-4-yl)-5-fluoropyrimidine
CID 80550967
4,6-Dichloro-2-(3-cyclopropylimidazol-4-yl)-5-fluoropyrimidine
CID 80550975
4,6-Dichloro-5-fluoro-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 80551025
4,6-Dichloro-5-fluoro-2-(1-methylimidazol-4-yl)pyrimidine
CID 130598656
1-[4-(4-Amino-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
CID 158083571
4-Chloro-5-fluoro-2-(1-methyl-2-propan-2-ylimidazol-4-yl)pyrimidine
CID 159993536
1-[2-[(4,6-Dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone
CID 54115945
1-[2-[(4,6-Dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone
CID 54365975

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone (CID 158083569) is 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone is CC(=O)n1cc(-c2ncc(F)c(Cl)n2)nc1C(C)C.
What is the InChIKey of 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
The InChIKey is LQRKYOQTMNEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-6(2)12-16-9(5-18(12)7(3)19)11-15-4-8(14)10(13)17-11/h4-6H,1-3H3.
What are the key properties of 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone?
1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone has a molecular weight of 282.71 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone is sourced from PubChem (CID 158083569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).