(2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone

C11H8F2N2O — CID 82895940

IUPAC(2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O/c1-15-6-14-5-10(15)11(16)8-4-7(12)2-3-9(8)13/h2-6H,1H3
InChIKeyLLRADFKYHHMHTK-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.93
Rot. Bonds2

About (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone

(2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone (PubChem CID 82895940) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone
PubChem CID82895940
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name(2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O/c1-15-6-14-5-10(15)11(16)8-4-7(12)2-3-9(8)13/h2-6H,1H3
InChIKeyLLRADFKYHHMHTK-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone
CID 71711489
2-fluoro-5-(3-methylimidazole-4-carbonyl)benzonitrile
CID 71711704
2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510456
(3-methylimidazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 82895472
N-(5-fluoro-2-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511933
(3-bromophenyl)-(3-methylimidazol-4-yl)methanone
CID 35580673
4,5-difluoro-2-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510522
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
2-(3-methylimidazol-4-yl)-2-oxoacetic acid
CID 82416720
(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
CID 82895758
(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86715442

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone (CID 82895940) is (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is LLRADFKYHHMHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-15-6-14-5-10(15)11(16)8-4-7(12)2-3-9(8)13/h2-6H,1H3.
What are the key properties of (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone?
(2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 222.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 82895940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).