(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone

C12H11FN2O — CID 106880882

IUPAC(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ncc[nH]2)c(F)c1
InChIInChI=1S/C12H11FN2O/c1-7-5-8(2)10(9(13)6-7)11(16)12-14-3-4-15-12/h3-6H,1-2H3,(H,14,15)
InChIKeySNXGCFDCOOITGM-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.40
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone (PubChem CID 106880882) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone
PubChem CID106880882
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ncc[nH]2)c(F)c1
InChIInChI=1S/C12H11FN2O/c1-7-5-8(2)10(9(13)6-7)11(16)12-14-3-4-15-12/h3-6H,1-2H3,(H,14,15)
InChIKeySNXGCFDCOOITGM-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone (CID 106880882) is (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone is Cc1cc(C)c(C(=O)c2ncc[nH]2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone?
The InChIKey is SNXGCFDCOOITGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-7-5-8(2)10(9(13)6-7)11(16)12-14-3-4-15-12/h3-6H,1-2H3,(H,14,15).
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone has a molecular weight of 218.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 106880882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).