(2-fluorophenyl)-(3-methylimidazol-4-yl)methanone

C11H9FN2O — CID 805401

IUPAC(2-fluorophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1ccccc1F
InChIInChI=1S/C11H9FN2O/c1-14-7-13-6-10(14)11(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyLLJCUTONOYOBHQ-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.79
Rot. Bonds2

About (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone

(2-fluorophenyl)-(3-methylimidazol-4-yl)methanone (PubChem CID 805401) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(3-methylimidazol-4-yl)methanone
PubChem CID805401
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name(2-fluorophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1ccccc1F
InChIInChI=1S/C11H9FN2O/c1-14-7-13-6-10(14)11(15)8-4-2-3-5-9(8)12/h2-7H,1H3
InChIKeyLLJCUTONOYOBHQ-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1H-imidazol-4-yl)(phenyl)methanone
CID 556113
(1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 914663
2-(1H-Imidazol-1-yl)-1-phenylethanone
CID 32235
(4-fluorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10155386
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(4-(trifluoromethyl)phenyl)methanone
CID 10201558
1-Benzyl-1H-imidazole-5-carboxaldehyde
CID 2773239
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 44571277
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propoxy)-1H-imidazol-5-yl)methanone
CID 11574091
(4-isopropylphenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 11653860
1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 24828314
(4-fluorophenyl)-(2-phenyl-1H-imidazol-5-yl)methanone
CID 49787758
(4-fluorophenyl)-[2-(4-methylphenyl)-1H-imidazol-5-yl]methanone
CID 49787838

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone (CID 805401) is (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is LLJCUTONOYOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-14-7-13-6-10(14)11(15)8-4-2-3-5-9(8)12/h2-7H,1H3.
What are the key properties of (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone?
(2-fluorophenyl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 204.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 805401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).