[5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone

C21H15FN4O — CID 67361665

IUPAC[5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone
SMILESCn1cc(-c2cnc(C(=O)c3ccccc3)nc2)nc1-c1cccc(F)c1
InChIInChI=1S/C21H15FN4O/c1-26-13-18(25-21(26)15-8-5-9-17(22)10-15)16-11-23-20(24-12-16)19(27)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyQCGXRRRVQJJAIN-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.91
Rot. Bonds4

About [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone

[5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone (PubChem CID 67361665) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone
PubChem CID67361665
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name[5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone
SMILESCn1cc(-c2cnc(C(=O)c3ccccc3)nc2)nc1-c1cccc(F)c1
InChIInChI=1S/C21H15FN4O/c1-26-13-18(25-21(26)15-8-5-9-17(22)10-15)16-11-23-20(24-12-16)19(27)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyQCGXRRRVQJJAIN-UHFFFAOYSA-N
XLogP3.91
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842765
6-(3-fluorophenyl)-3,8-dimethylpteridine-2,4-dione
CID 8990468
6-(3-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrochloride
CID 75539374
(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone
CID 130758203
6-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251336
(2R)-2-[4-(3-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034163
[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone
CID 52946748
6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745078
2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475083
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
5-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250700
2-[3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 84698395

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone?
The IUPAC name of [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone (CID 67361665) is [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone?
The canonical SMILES for [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone is Cn1cc(-c2cnc(C(=O)c3ccccc3)nc2)nc1-c1cccc(F)c1.
What is the InChIKey of [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone?
The InChIKey is QCGXRRRVQJJAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c1-26-13-18(25-21(26)15-8-5-9-17(22)10-15)16-11-23-20(24-12-16)19(27)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone?
[5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone has a molecular weight of 358.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-fluorophenyl)-1-methylimidazol-4-yl]pyrimidin-2-yl]-phenylmethanone is sourced from PubChem (CID 67361665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).